3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide

C16H16ClNO4S — CID 1331007

IUPAC3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO4S/c1-22-14-6-4-13(5-7-14)18-16(19)10-11-23(20,21)15-8-2-12(17)3-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyJVSDPYNAFOIJRK-UHFFFAOYSA-N
MW353.83 g/mol
LogP3.15
Rot. Bonds6

About 3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide

3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide (PubChem CID 1331007) has the molecular formula C16H16ClNO4S and a molecular weight of 353.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
PubChem CID1331007
Molecular FormulaC16H16ClNO4S
Molecular Weight353.83 g/mol
Exact Mass353.05
IUPAC Name3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H16ClNO4S/c1-22-14-6-4-13(5-7-14)18-16(19)10-11-23(20,21)15-8-2-12(17)3-9-15/h2-9H,10-11H2,1H3,(H,18,19)
InChIKeyJVSDPYNAFOIJRK-UHFFFAOYSA-N
XLogP3.15
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.83
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1483400
2-[(4-fluorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486369
2-[(2-chlorophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 1486373
2-[(2-chlorophenyl)sulfonyl]-N-(4-methoxyphenyl)acetamide
CID 1486374
4-(Acetylamino)phenyl 4-chlorobenzenesulfonate
CID 1722138
2-(4-chlorophenyl)sulfanyl-N-(2-phenoxyphenyl)acetamide
CID 1364321
N-[4-(3-Methoxy-benzenesulfonyl)-phenyl]-butyramide
CID 9797715
N-(4-(4-(thiiran-2-ylmethylsulfonyl)phenoxy)phenyl)acetamide
CID 15941553
N-(4-methoxyphenyl)-2-(phenylsulfonyl)acetamide
CID 893006
N-(2-methoxyphenyl)-3-(phenylsulfonyl)propanamide
CID 758937
2-{[(4-chlorophenyl)sulfonyl]amino}-N-(4-methoxyphenyl)acetamide
CID 1006478
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-2-methylpropanamide
CID 1242568

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide (CID 1331007) is 3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide is COc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide?
The InChIKey is JVSDPYNAFOIJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO4S/c1-22-14-6-4-13(5-7-14)18-16(19)10-11-23(20,21)15-8-2-12(17)3-9-15/h2-9H,10-11H2,1H3,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide?
3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide has a molecular weight of 353.83 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 1331007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).