N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide

C13H11BrClNO2S — CID 8517196

IUPACN-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H11BrClNO2S/c14-11-6-7-13(12(15)8-11)16-19(17,18)9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyCXVHJMKIKZMEJZ-UHFFFAOYSA-N
MW360.66 g/mol
LogP4.04
Rot. Bonds4

About N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide

N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide (PubChem CID 8517196) has the molecular formula C13H11BrClNO2S and a molecular weight of 360.66 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide
PubChem CID8517196
Molecular FormulaC13H11BrClNO2S
Molecular Weight360.66 g/mol
Exact Mass358.94
IUPAC NameN-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C13H11BrClNO2S/c14-11-6-7-13(12(15)8-11)16-19(17,18)9-10-4-2-1-3-5-10/h1-8,16H,9H2
InChIKeyCXVHJMKIKZMEJZ-UHFFFAOYSA-N
XLogP4.04
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.66
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-bromophenyl)-1-phenylmethanesulfonamide
CID 884918
4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benzene-1-sulfonamide
CID 25335375
N-(4-bromo-2-chlorophenyl)methanesulfonamide
CID 22774632
N-(3-bromophenyl)-1-phenylmethanesulfonamide
CID 772065
(E)-N-(4-bromophenyl)-2-phenylethenesulfonamide
CID 6304004
N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 4844517
N-(4-bromo-2-fluorophenyl)-1-phenylmethanesulfonamide
CID 744043
N-(4-bromo-2-chloro-6-methylphenyl)methanesulfonamide
CID 89773709
N-(4-bromophenyl)-2-(4-chlorophenyl)-1-cyanoethenesulfonamide
CID 68944942
N-(4-bromo-2-chlorophenyl)ethanesulfonamide
CID 17374358
N-(4-bromophenyl)-1-(4-fluorophenyl)methanesulfonamide
CID 17741114
N-(4-bromo-2-fluorophenyl)-1-(2-chlorophenyl)methanesulfonamide
CID 2988463

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide (CID 8517196) is N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide?
The InChIKey is CXVHJMKIKZMEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2S/c14-11-6-7-13(12(15)8-11)16-19(17,18)9-10-4-2-1-3-5-10/h1-8,16H,9H2.
What are the key properties of N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide?
N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide has a molecular weight of 360.66 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 8517196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).