N-(2-chlorophenyl)-1-phenylmethanesulfonamide

C13H12ClNO2S — CID 798766

IUPACN-(2-chlorophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C13H12ClNO2S/c14-12-8-4-5-9-13(12)15-18(16,17)10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyZYCLTVPCAYWCNF-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.28
Rot. Bonds4

About N-(2-chlorophenyl)-1-phenylmethanesulfonamide

N-(2-chlorophenyl)-1-phenylmethanesulfonamide (PubChem CID 798766) has the molecular formula C13H12ClNO2S and a molecular weight of 281.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-phenylmethanesulfonamide
PubChem CID798766
Molecular FormulaC13H12ClNO2S
Molecular Weight281.76 g/mol
Exact Mass281.03
IUPAC NameN-(2-chlorophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccccc1Cl
InChIInChI=1S/C13H12ClNO2S/c14-12-8-4-5-9-13(12)15-18(16,17)10-11-6-2-1-3-7-11/h1-9,15H,10H2
InChIKeyZYCLTVPCAYWCNF-UHFFFAOYSA-N
XLogP3.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(2-chlorophenyl)-1-phenylmethanesulfonamide (CID 798766) is N-(2-chlorophenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-1-phenylmethanesulfonamide?
The InChIKey is ZYCLTVPCAYWCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2S/c14-12-8-4-5-9-13(12)15-18(16,17)10-11-6-2-1-3-7-11/h1-9,15H,10H2.
What are the key properties of N-(2-chlorophenyl)-1-phenylmethanesulfonamide?
N-(2-chlorophenyl)-1-phenylmethanesulfonamide has a molecular weight of 281.76 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 798766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).