N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide

C14H12ClNO3S — CID 43339036

IUPACN-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-20(18,19)16-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)15/h2-9,16H,1H3
InChIKeyCLYZRNZFJKQLIQ-UHFFFAOYSA-N
MW309.77 g/mol
LogP2.94
Rot. Bonds4

About N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide

N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide (PubChem CID 43339036) has the molecular formula C14H12ClNO3S and a molecular weight of 309.77 g/mol. Its IUPAC name is N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
PubChem CID43339036
Molecular FormulaC14H12ClNO3S
Molecular Weight309.77 g/mol
Exact Mass309.02
IUPAC NameN-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C14H12ClNO3S/c1-20(18,19)16-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)15/h2-9,16H,1H3
InChIKeyCLYZRNZFJKQLIQ-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-[4-(4-amino-3-chlorobenzoyl)phenyl]methanesulfonamide
CID 82779073
N-[4-(4-methylthiophene-3-carbonyl)phenyl]methanesulfonamide
CID 79802964
N-[4-(4-bromo-2-methylbenzoyl)phenyl]methanesulfonamide
CID 43629655
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
N-[4-(4-methylsulfanylbenzoyl)phenyl]methanesulfonamide
CID 79212173
N-[4-(2,6-dichloroanilino)phenyl]methanesulfonamide
CID 112989678
N-[3-(4-chlorobenzoyl)phenyl]methanesulfonamide
CID 110427114
[4-(2-aminoanilino)phenyl]-(2-chlorophenyl)methanone
CID 18358121
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
4-(2-chlorobenzoyl)benzaldehyde
CID 82118162
N-[4-(2,2-dimethylpropanoyl)phenyl]methanesulfonamide
CID 43161143
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]methanesulfonamide
CID 6612326

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide (CID 43339036) is N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)c2ccccc2Cl)cc1.
What is the InChIKey of N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide?
The InChIKey is CLYZRNZFJKQLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO3S/c1-20(18,19)16-11-8-6-10(7-9-11)14(17)12-4-2-3-5-13(12)15/h2-9,16H,1H3.
What are the key properties of N-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide?
N-[4-(2-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-[4-(2-chlorobenzoyl)phenyl]methanesulfonamide is sourced from PubChem (CID 43339036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).