3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide

C16H16ClNO3S — CID 17310097

IUPAC3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H16ClNO3S/c1-12-7-8-13(11-15(12)17)18-16(19)9-10-22(20,21)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyWYSVKWWMIJNVTB-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.45
Rot. Bonds5

About 3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide

3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide (PubChem CID 17310097) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
PubChem CID17310097
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C16H16ClNO3S/c1-12-7-8-13(11-15(12)17)18-16(19)9-10-22(20,21)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,18,19)
InChIKeyWYSVKWWMIJNVTB-UHFFFAOYSA-N
XLogP3.45
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(benzenesulfonyl)-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]propanamide
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3-(benzenesulfonyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4966347
N-(3-chloro-4-methylphenyl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanamide
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N,N'-bis(3-chloro-4-methylphenyl)decanediamide
CID 23010647
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
3-(benzenesulfonyl)-N-(4-bromophenyl)propanamide
CID 7202615
N-(3-chloro-4-methylphenyl)-3-(N-(4-methylphenyl)sulfonylanilino)propanamide
CID 2521891
3-(4-chlorophenyl)sulfonyl-N-naphthalen-2-ylpropanamide
CID 2902895
N-(3-chloro-4-methylphenyl)-3-(2-phenylethylamino)propanamide
CID 109024309
3-[benzyl(methyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 109020626
N-(3-fluoro-4-methylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 9216116

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide (CID 17310097) is 3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCS(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide?
The InChIKey is WYSVKWWMIJNVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-12-7-8-13(11-15(12)17)18-16(19)9-10-22(20,21)14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3,(H,18,19).
What are the key properties of 3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide?
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide has a molecular weight of 337.83 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide is sourced from PubChem (CID 17310097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).