N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide

C14H12ClNO3S — CID 110427114

IUPACN-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClNO3S/c1-20(18,19)16-13-4-2-3-11(9-13)14(17)10-5-7-12(15)8-6-10/h2-9,16H,1H3
InChIKeyCCLNJRRVOKMVRC-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.94
Rot. Bonds4

About N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide

N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide (PubChem CID 110427114) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
PubChem CID110427114
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC NameN-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C14H12ClNO3S/c1-20(18,19)16-13-4-2-3-11(9-13)14(17)10-5-7-12(15)8-6-10/h2-9,16H,1H3
InChIKeyCCLNJRRVOKMVRC-UHFFFAOYSA-N
XLogP2.94
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-(methanesulfonamido)benzoyl]phenyl]methanesulfonamide
CID 127038503
N-[3-(4-tert-butylbenzoyl)phenyl]-4-chlorobenzenesulfonamide
CID 92682052
N-(3-benzoylphenyl)-2,4-dichlorobenzenesulfonamide
CID 90665331
N-[2-(4-chlorophenoxy)ethyl]-3-(methanesulfonamido)-N-methylbenzamide
CID 31470074
N-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide
CID 82779073
2-(3-benzoylanilino)-1-(4-chlorophenyl)ethanone
CID 110823607
methyl 3-(4-chlorobenzoyl)benzoate
CID 15984758
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-3-(methanesulfonamido)benzamide
CID 55751629
N-[4-(3-chlorobenzoyl)phenyl]ethanesulfonamide
CID 43339100
N-[3-[3-(4-chlorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]methanesulfonamide
CID 11189486
N-[2-(3-chlorophenyl)ethyl]-3-(methanesulfonamido)benzamide
CID 18114724
N-[3-[(2E)-2-hydroxyiminoacetyl]phenyl]methanesulfonamide
CID 87742571

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide?
The IUPAC name of N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide (CID 110427114) is N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide?
The InChIKey is CCLNJRRVOKMVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-20(18,19)16-13-4-2-3-11(9-13)14(17)10-5-7-12(15)8-6-10/h2-9,16H,1H3.
What are the key properties of N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide?
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide has a molecular weight of 309.77 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 110427114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).