4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide

C16H16ClNO3S — CID 41273157

IUPAC4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide
SMILESO=C(CCCS(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO3S/c17-13-6-4-7-14(12-13)18-16(19)10-5-11-22(20,21)15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H,18,19)
InChIKeySNEAQMCGNKBBEB-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.53
Rot. Bonds6

About 4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide

4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide (PubChem CID 41273157) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide
PubChem CID41273157
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide
SMILESO=C(CCCS(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1
InChIInChI=1S/C16H16ClNO3S/c17-13-6-4-7-14(12-13)18-16(19)10-5-11-22(20,21)15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H,18,19)
InChIKeySNEAQMCGNKBBEB-UHFFFAOYSA-N
XLogP3.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
N,N'-bis(3-chlorophenyl)pentanediamide
CID 1011389
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110624241
N-(3-chlorophenyl)-4-(methylamino)butanamide
CID 60843448
4-(benzenesulfonyl)-N-[3-(1,3-benzothiazol-2-yl)phenyl]butanamide
CID 18585740
5-amino-N-(3-chlorophenyl)hexanamide
CID 82849187
3-(benzenesulfonyl)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4286052
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
N-(3-chlorophenyl)-2-(3-phenylpropylsulfonylamino)acetamide
CID 112997895
N-(3-chlorophenyl)-3-iodopropanamide
CID 64788380
methyl 5-(3-chloroanilino)-5-oxopentanoate
CID 3987569

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide?
The IUPAC name of 4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide (CID 41273157) is 4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide?
The canonical SMILES for 4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide is O=C(CCCS(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1.
What is the InChIKey of 4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide?
The InChIKey is SNEAQMCGNKBBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c17-13-6-4-7-14(12-13)18-16(19)10-5-11-22(20,21)15-8-2-1-3-9-15/h1-4,6-9,12H,5,10-11H2,(H,18,19).
What are the key properties of 4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide?
4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide has a molecular weight of 337.83 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide is sourced from PubChem (CID 41273157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).