N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide

C19H14ClNO3S — CID 134133105

IUPACN-(4-benzoylphenyl)-3-chlorobenzenesulfonamide
SMILESO=C(c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H14ClNO3S/c20-16-7-4-8-18(13-16)25(23,24)21-17-11-9-15(10-12-17)19(22)14-5-2-1-3-6-14/h1-13,21H
InChIKeyWMSHUJRFPYYDRH-UHFFFAOYSA-N
MW371.85 g/mol
LogP4.37
Rot. Bonds5

About N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide

N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide (PubChem CID 134133105) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-benzoylphenyl)-3-chlorobenzenesulfonamide
PubChem CID134133105
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC NameN-(4-benzoylphenyl)-3-chlorobenzenesulfonamide
SMILESO=C(c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C19H14ClNO3S/c20-16-7-4-8-18(13-16)25(23,24)21-17-11-9-15(10-12-17)19(22)14-5-2-1-3-6-14/h1-13,21H
InChIKeyWMSHUJRFPYYDRH-UHFFFAOYSA-N
XLogP4.37
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-4-methylbenzene-1-sulfonamide
CID 563797
4'-(4-Aminobenzoyl)biphenyl-4-Sulfonamide
CID 91995964
N-(4-acetylphenyl)benzenesulfonamide
CID 682447
Benzenesulfonamide, N-(2-benzoyl-4-chlorophenyl)-4-methyl-
CID 1047653
N-(4-chloro-2-(4-fluorobenzoyl)phenyl)-4-methylbenzenesulfonamide
CID 1897088
S-[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11362090
S-[2-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11406470
S-[2-[4-[(2-chlorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11574525
S-[2-[4-[(3-chlorophenyl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 44571772
Benzenesulfonamide, N-(4-acetylphenyl)-4-amino-
CID 221849
N-(4-acetylphenyl)-4-isobutylbenzenesulfonamide
CID 768834
N-(4-acetylphenyl)-3-methylbenzenesulfonamide
CID 889998

Frequently Asked Questions

What is the IUPAC name of N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide (CID 134133105) is N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide is O=C(c1ccccc1)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide?
The InChIKey is WMSHUJRFPYYDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c20-16-7-4-8-18(13-16)25(23,24)21-17-11-9-15(10-12-17)19(22)14-5-2-1-3-6-14/h1-13,21H.
What are the key properties of N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide?
N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide has a molecular weight of 371.85 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoylphenyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 134133105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).