3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide

C16H17ClN2O3S — CID 26687749

IUPAC3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-11-13(17)7-8-15(12)19-16(20)9-10-18-23(21,22)14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyFUOLDVJBQIYBIN-UHFFFAOYSA-N
MW352.84 g/mol
LogP2.96
Rot. Bonds6

About 3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide

3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide (PubChem CID 26687749) has the molecular formula C16H17ClN2O3S and a molecular weight of 352.84 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
PubChem CID26687749
Molecular FormulaC16H17ClN2O3S
Molecular Weight352.84 g/mol
Exact Mass352.06
IUPAC Name3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide
SMILESCc1cc(Cl)ccc1NC(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C16H17ClN2O3S/c1-12-11-13(17)7-8-15(12)19-16(20)9-10-18-23(21,22)14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3,(H,19,20)
InChIKeyFUOLDVJBQIYBIN-UHFFFAOYSA-N
XLogP2.96
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.84
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-chlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 26538610
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649
3-[4-(benzylsulfamoyl)phenyl]-N-(4-chloro-2-methylphenyl)propanamide
CID 126227045
N-(4-chloro-2-methylphenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112998154
N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
3-[(4-tert-butylphenyl)sulfonylamino]-N-(5-chloro-2-methylphenyl)propanamide
CID 9403064
N-(4-butoxy-2-methylphenyl)-3-[(3-chlorophenyl)sulfonylamino]propanamide
CID 55977497
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 17225634
N-(5-chloro-2-methylphenyl)-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 26800125
4-(4-chloro-2-methylanilino)-4-oxobutanoic acid
CID 731480
3-(benzenesulfonamido)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 18268034

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide (CID 26687749) is 3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide is Cc1cc(Cl)ccc1NC(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide?
The InChIKey is FUOLDVJBQIYBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3S/c1-12-11-13(17)7-8-15(12)19-16(20)9-10-18-23(21,22)14-5-3-2-4-6-14/h2-8,11,18H,9-10H2,1H3,(H,19,20).
What are the key properties of 3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide?
3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide has a molecular weight of 352.84 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-(4-chloro-2-methylphenyl)propanamide is sourced from PubChem (CID 26687749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).