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

C17H16ClNO4S — CID 7254317

IUPACN-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO4S/c1-12(20)13-3-2-4-15(11-13)19-17(21)9-10-24(22,23)16-7-5-14(18)6-8-16/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyBJYAJTIBAIMVLV-UHFFFAOYSA-N
MW365.84 g/mol
LogP3.35
Rot. Bonds6

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

N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide (PubChem CID 7254317) has the molecular formula C17H16ClNO4S and a molecular weight of 365.84 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
PubChem CID7254317
Molecular FormulaC17H16ClNO4S
Molecular Weight365.84 g/mol
Exact Mass365.05
IUPAC NameN-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide
SMILESCC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H16ClNO4S/c1-12(20)13-3-2-4-15(11-13)19-17(21)9-10-24(22,23)16-7-5-14(18)6-8-16/h2-8,11H,9-10H2,1H3,(H,19,21)
InChIKeyBJYAJTIBAIMVLV-UHFFFAOYSA-N
XLogP3.35
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 4112435
N-[3-[3-(4-chlorophenyl)sulfonylpropanoylamino]phenyl]cyclopropanecarboxamide
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N-(3-acetylphenyl)-3-(4-chlorophenyl)propanamide
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N-(3-chlorophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110420604
N-ethyl-3-[3-(4-methylphenyl)sulfonylpropanoylamino]benzamide
CID 9225118
N-(4-acetamidophenyl)-3-(3-chlorophenyl)sulfonylpropanamide
CID 110423914
[2-(3-acetylanilino)-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate
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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
The IUPAC name of N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide (CID 7254317) is N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide is CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
The InChIKey is BJYAJTIBAIMVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4S/c1-12(20)13-3-2-4-15(11-13)19-17(21)9-10-24(22,23)16-7-5-14(18)6-8-16/h2-8,11H,9-10H2,1H3,(H,19,21).
What are the key properties of N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide?
N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide has a molecular weight of 365.84 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(4-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 7254317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).