N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide

C17H18ClNO3S — CID 2742130

IUPACN-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H18ClNO3S/c1-11(2)13-4-7-15(8-5-13)23(21,22)19-17-10-14(12(3)20)6-9-16(17)18/h4-11,19H,1-3H3
InChIKeyMDKROOAQKNTBIK-UHFFFAOYSA-N
MW351.86 g/mol
LogP4.47
Rot. Bonds5

About N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide

N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 2742130) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID2742130
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C17H18ClNO3S/c1-11(2)13-4-7-15(8-5-13)23(21,22)19-17-10-14(12(3)20)6-9-16(17)18/h4-11,19H,1-3H3
InChIKeyMDKROOAQKNTBIK-UHFFFAOYSA-N
XLogP4.47
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenesulfonamide, N-(2-benzoyl-4-chlorophenyl)-4-methyl-
CID 1047653
2-[4-(4-Chloro-phenylsulfamoyl)-phenyl]-2-oxoethyl ethyl trithiocarbonate
CID 24895005
2-[3-(4-Chloro-benzenesulfonylamino)-phenyl]-2-oxoethyl ethyl trithiocarbonate
CID 24895006
4-[4-(3-Aminobenzoyl)phenyl]benzenesulfonamide
CID 156010217
N-(3-Acetylphenyl)-4-methylbenzenesulfonamide
CID 220585
4-chloro-N-(3,5-dimethylphenyl)-3-{[(4-methylphenyl)sulfonyl]amino}benzamide
CID 1020144
N-(2-acetylphenyl)-2-chlorobenzenesulfonamide
CID 2767178
N-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]benzenesulfonamide
CID 15176581
N-(3-acetylphenyl)-4-chlorobenzenesulfonamide
CID 307391
N-(3-acetylphenyl)benzenesulfonamide
CID 738634
N-(3-acetylphenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 889919
N-(3-acetylphenyl)-4-chloro-3-(trifluoromethyl)benzenesulfonamide
CID 1304977

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide (CID 2742130) is N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide is CC(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is MDKROOAQKNTBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-11(2)13-4-7-15(8-5-13)23(21,22)19-17-10-14(12(3)20)6-9-16(17)18/h4-11,19H,1-3H3.
What are the key properties of N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide?
N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 351.86 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-chlorophenyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 2742130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).