3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide

C17H17ClN2O4S — CID 110420476

IUPAC3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-12(21)19-13-6-8-14(9-7-13)25(23,24)11-10-17(22)20-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyKDWJKHGUEKFPKM-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.10
Rot. Bonds6

About 3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide

3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide (PubChem CID 110420476) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is 3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
PubChem CID110420476
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC Name3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-12(21)19-13-6-8-14(9-7-13)25(23,24)11-10-17(22)20-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyKDWJKHGUEKFPKM-UHFFFAOYSA-N
XLogP3.10
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.85
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
N-(2,3-dichlorophenyl)-3-(4-methoxyphenyl)sulfonylpropanamide
CID 41324012
3-(4-chlorophenyl)sulfonyl-N-(2,4-dichlorophenyl)propanamide
CID 26589989
3-(4-chlorophenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 18076702
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097
3-(4-acetamidophenyl)sulfonyl-N-(2-phenylethyl)propanamide
CID 110410830
3-(benzenesulfonyl)-N-(4-sulfamoylphenyl)propanamide
CID 4285781
3-(4-acetamidophenyl)sulfonyl-N-(2,4,6-trimethylphenyl)propanamide
CID 110419509
N-(2-bromophenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 4547649

Frequently Asked Questions

What is the IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide (CID 110420476) is 3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide is CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide?
The InChIKey is KDWJKHGUEKFPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-12(21)19-13-6-8-14(9-7-13)25(23,24)11-10-17(22)20-16-5-3-2-4-15(16)18/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of 3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide?
3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide has a molecular weight of 380.85 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 110420476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).