N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide

C17H17ClN2O4S — CID 110423914

IUPACN-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-12(21)19-14-5-7-15(8-6-14)20-17(22)9-10-25(23,24)16-4-2-3-13(18)11-16/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCGVGVZKRZGMLPB-UHFFFAOYSA-N
MW380.85 g/mol
LogP3.10
Rot. Bonds6

About N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide

N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide (PubChem CID 110423914) has the molecular formula C17H17ClN2O4S and a molecular weight of 380.85 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
PubChem CID110423914
Molecular FormulaC17H17ClN2O4S
Molecular Weight380.85 g/mol
Exact Mass380.06
IUPAC NameN-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O4S/c1-12(21)19-14-5-7-15(8-6-14)20-17(22)9-10-25(23,24)16-4-2-3-13(18)11-16/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22)
InChIKeyCGVGVZKRZGMLPB-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-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
N-(4-acetamidophenyl)-3-(benzenesulfonyl)propanamide
CID 17310102
3-(3-chlorophenyl)sulfonyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 110424864
N-(2-anilino-2-oxoethyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110624241
N-(4-acetamidobutyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110609806
3-(3-chlorophenyl)sulfonyl-N-(6-methoxy-3-pyridinyl)propanamide
CID 110620805
N-(4-acetamidophenyl)-2-[(3-chlorophenyl)sulfonylamino]acetamide
CID 112999785
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
CID 7254317
4-(benzenesulfonyl)-N-(3-chlorophenyl)butanamide
CID 41273157
3-(4-acetamidophenyl)sulfonyl-N-(2-chlorophenyl)propanamide
CID 110420476
3-(4-acetamidophenyl)sulfonyl-N-(4-fluorophenyl)propanamide
CID 110420356
3-(benzenesulfonyl)-N-(3-chloro-4-methylphenyl)propanamide
CID 17310097

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide (CID 110423914) is N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide is CC(=O)Nc1ccc(NC(=O)CCS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide?
The InChIKey is CGVGVZKRZGMLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4S/c1-12(21)19-14-5-7-15(8-6-14)20-17(22)9-10-25(23,24)16-4-2-3-13(18)11-16/h2-8,11H,9-10H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide?
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide 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 N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 110423914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).