N-(5-Bromopyridin-3-yl)-4-methylbenzenesulfonamide

• CAS: 1216-97-3
• Catalog Number: ACM1216973
• Category: Bromine Series
• Molecular Weight: 327.196940 [g/mol]
• Molecular Formula: C₁₂H₁₁BrN₂O₂S
• Synonyms: N-(5-Bromopyridin-3-yl)-4-methylbenzenesulfonamide, 1216-97-3, SureCN1621978, AKOS016015043, RL00974, AK-56814, KB-56047, QC-11083
• IUPAC Name: N-(5-bromopyridin-3-yl)-4-methylbenzenesulfonamide
• InChI Key: HELHTYMNOGRXFB-UHFFFAOYSA-N
• Exact Mass: 325.97200
• H-Bond Acceptor: 4
• H-Bond Donor: 1

Custom Q&A

What is the molecular formula of the compound with PubChem CID 57585105?

The molecular formula is C12H11BrN2O2S.

When was the compound first created and last modified in the record?

It was created on 2012-08-19 and last modified on 2023-12-02.

What is the IUPAC name of the compound?

The IUPAC name is N-(5-bromopyridin-3-yl)-4-methylbenzenesulfonamide.

What is the InChI of the compound?

The InChI is InChI=1S/C12H11BrN2O2S/c1-9-2-4-12(5-3-9)18(16,17)15-11-6-10(13)7-14-8-11/h2-8,15H,1H3.

What is the InChIKey of the compound?

The InChIKey is HELHTYMNOGRXFB-UHFFFAOYSA-N.

What is the canonical SMILES representation of the compound?

The canonical SMILES is CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=CN=C2)Br.

How much is the molecular weight of the compound?

The molecular weight is 327.20 g/mol.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the topological polar surface area of the compound?

The topological polar surface area is 67.4Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.