N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide

C14H13BrClNO2S — CID 11574337

IUPACN-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrClNO2S/c1-20(18,19)17(13-8-6-12(15)7-9-13)10-11-4-2-3-5-14(11)16/h2-9H,10H2,1H3
InChIKeyRKPKVEFMOHLVRC-UHFFFAOYSA-N
MW374.69 g/mol
LogP4.07
Rot. Bonds4

About N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide

N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide (PubChem CID 11574337) has the molecular formula C14H13BrClNO2S and a molecular weight of 374.69 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide
PubChem CID11574337
Molecular FormulaC14H13BrClNO2S
Molecular Weight374.69 g/mol
Exact Mass372.95
IUPAC NameN-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H13BrClNO2S/c1-20(18,19)17(13-8-6-12(15)7-9-13)10-11-4-2-3-5-14(11)16/h2-9H,10H2,1H3
InChIKeyRKPKVEFMOHLVRC-UHFFFAOYSA-N
XLogP4.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.69
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide?
The IUPAC name of N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide (CID 11574337) is N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide.
What is the SMILES notation for N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide?
The canonical SMILES for N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide is CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide?
The InChIKey is RKPKVEFMOHLVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO2S/c1-20(18,19)17(13-8-6-12(15)7-9-13)10-11-4-2-3-5-14(11)16/h2-9H,10H2,1H3.
What are the key properties of N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide?
N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide has a molecular weight of 374.69 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]methanesulfonamide is sourced from PubChem (CID 11574337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).