CAS
94134-83-5 Purity
96%
94134-83-5 Purity
96%
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N-(2,5-Dichloropentyl)-3,4-dihydro-8-(N-methylsulfamoyl)-2H-1,5-benzodioxepin-6-carboxamide
CAS
94134-90-4
Catalog Number
ACM94134904
Category
Other Products
Molecular Weight
425.327280 [g/mol]
Molecular Formula
C16H22Cl2N2O5S
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Specification
Synonyms
EINECS 302-861-0, 94134-90-4, N-(2,5-Dichloropentyl)-3,4-dihydro-8-(N-methylsulphamoyl)-2H-1,5-benzodioxepin-6-carboxamide
IUPAC Name
N-(2,5-dichloropentyl)-8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide
Canonical SMILES
CNS(=O)(=O)C1=CC2=C(C(=C1)C(=O)NCC(CCCCl)Cl)OCCCO2
InChI Key
WJPVGGFEQFHIDH-UHFFFAOYSA-N
Density
1.345g/cm³
EC Number
302-861-0
Exact Mass
424.06300
H-Bond Acceptor
6
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C16H22Cl2N2O5S.
What are the synonyms for the compound?
The synonyms for the compound include N-(2,5-Dichloropentyl)-3,4-dihydro-8-(N-methylsulphamoyl)-2H-1,5-benzodioxepin-6-carboxamide and DTXSID50916349.
What is the molecular weight of the compound?
The molecular weight of the compound is 425.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is N-(2,5-dichloropentyl)-8-(methylsulfamoyl)-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamide.
What is the InChIKey of the compound?
The InChIKey of the compound is WJPVGGFEQFHIDH-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.2.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 102 2.
How many rotatable bond counts does the compound have?
The compound has 8 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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