3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide

C22H17Cl2NO4S — CID 41235092

IUPAC3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C22H17Cl2NO4S/c23-15-10-11-20(18(14-15)22(27)17-8-4-5-9-19(17)24)25-21(26)12-13-30(28,29)16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,25,26)
InChIKeyXBVFHMMZLXAUOI-UHFFFAOYSA-N
MW462.35 g/mol
LogP5.03
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide

3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide (PubChem CID 41235092) has the molecular formula C22H17Cl2NO4S and a molecular weight of 462.35 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide
PubChem CID41235092
Molecular FormulaC22H17Cl2NO4S
Molecular Weight462.35 g/mol
Exact Mass461.03
IUPAC Name3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl
InChIInChI=1S/C22H17Cl2NO4S/c23-15-10-11-20(18(14-15)22(27)17-8-4-5-9-19(17)24)25-21(26)12-13-30(28,29)16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,25,26)
InChIKeyXBVFHMMZLXAUOI-UHFFFAOYSA-N
XLogP5.03
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.35
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]propanamide
CID 110294989
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 18076702
2-amino-N-[2-[4-chloro-2-(2-chlorobenzoyl)anilino]-2-oxoethyl]acetamide
CID 21153465
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138
2,4-dichloro-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]benzamide
CID 4029873
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
2-[3-(benzenesulfonyl)propanoylamino]-N-tert-butylbenzamide
CID 17310177
3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
CID 110420476
4-(benzenesulfonyl)-N-(2-benzoyl-4-methylphenyl)butanamide
CID 16804021

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide (CID 41235092) is 3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide?
The InChIKey is XBVFHMMZLXAUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2NO4S/c23-15-10-11-20(18(14-15)22(27)17-8-4-5-9-19(17)24)25-21(26)12-13-30(28,29)16-6-2-1-3-7-16/h1-11,14H,12-13H2,(H,25,26).
What are the key properties of 3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide?
3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide has a molecular weight of 462.35 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-chloro-2-(2-chlorobenzoyl)phenyl]propanamide is sourced from PubChem (CID 41235092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).