(R,R)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide

• CAS: 144222-34-4
• Catalog Number: ACM144222344
• Category: Organic Phosphine Compounds
• Molecular Weight: 366.479g/mol
• Molecular Formula: C21H22N2O2S
• Synonyms: AK-29859; N-[(1R,2R)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide; Jsp002594; AC1MC1FH; ICCB2_000201; 222P344; (1r,2r)-(-)-n-p-tosyl-1,2-diphenylethylene diamine; TR-005623; (R,R)-N-(p-toluenesulfonyl)-1,2-diphenylethylendiamine; N-(2-Amino-1,2-diphenyl-ethyl)-4-methyl-benzenesulfonamide
• IUPAC Name: N-[(1R,2R)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide
• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=CC=C2)C(C3=CC=CC=C3)N
• InChI: InChI=1S/C21H22N2O2S/c1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17/h2-15,20-21,23H,22H2,1H3/t20-,21-/m1/s1
• InChI Key: UOPFIWYXBIHPIP-NHCUHLMSSA-N
• Application: (1R,2R)-(-)-N-p-Tosyl-1,2-diphenylethylenediamine is used as a catalyst in stereoselective preparation of aromatic ketone derivatives as well as other chiral organic compounds.
• Complexity: 511
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Exact Mass: 366.14g/mol
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Heavy Atom Count: 26
• Monoisotopic Mass: 366.14g/mol
• Rotatable Bond Count: 6
• Topological Polar Surface Area: 80.6A^2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C21H22N2O2S.

What is the molecular weight of the compound?

The molecular weight of the compound is 366.5 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is N-[(1R,2R)-2-amino-1,2-diphenylethyl]-4-methylbenzenesulfonamide.

What is the CAS number of the compound?

The CAS number of the compound is 144222-34-4.

What is the InChIKey of the compound?

The InChIKey of the compound is UOPFIWYXBIHPIP-NHCUHLMSSA-N.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 3.4.

How many hydrogen bond donor count does the compound have?

The compound has 2 hydrogen bond donor count.

How many hydrogen bond acceptor count does the compound have?

The compound has 4 hydrogen bond acceptor count.

How many rotatable bond count does the compound have?

The compound has 6 rotatable bond count.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 80.6Ų.