N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide

C13H11BrClNO2S — CID 61401064

IUPACN-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C13H11BrClNO2S/c14-11-7-5-10(6-8-11)9-16-19(17,18)13-4-2-1-3-12(13)15/h1-8,16H,9H2
InChIKeyGUMUIWZOQIGFIW-UHFFFAOYSA-N
MW360.66 g/mol
LogP3.58
Rot. Bonds4

About N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide

N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide (PubChem CID 61401064) has the molecular formula C13H11BrClNO2S and a molecular weight of 360.66 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
PubChem CID61401064
Molecular FormulaC13H11BrClNO2S
Molecular Weight360.66 g/mol
Exact Mass358.94
IUPAC NameN-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide
SMILESO=S(=O)(NCc1ccc(Br)cc1)c1ccccc1Cl
InChIInChI=1S/C13H11BrClNO2S/c14-11-7-5-10(6-8-11)9-16-19(17,18)13-4-2-1-3-12(13)15/h1-8,16H,9H2
InChIKeyGUMUIWZOQIGFIW-UHFFFAOYSA-N
XLogP3.58
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 ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide 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-[(4-bromophenyl)methyl]-2,4-dichlorobenzenesulfonamide
CID 3842755
N-[(4-bromophenyl)methyl]-2-methylbenzenesulfonamide
CID 46203552
2-chloro-N-[[4-(methoxymethyl)phenyl]methyl]benzenesulfonamide
CID 34263580
N-[(4-bromophenyl)methyl]-2-(ethylamino)benzenesulfonamide
CID 62150324
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-2-chlorobenzenesulfonamide
CID 81095097
N-[(3-aminophenyl)methyl]-2-chlorobenzenesulfonamide
CID 43593530
2-chloro-N-[(1-methylpyrrol-3-yl)methyl]benzenesulfonamide
CID 110782630
N-[[4-[[(2-chlorophenyl)sulfonylamino]methyl]phenyl]methyl]-2-methylbenzamide
CID 155516741
2-bromo-N-[[4-(bromomethyl)phenyl]methyl]benzenesulfonamide
CID 107233934
N-[(4-bromophenyl)methyl]-1-chloromethanesulfonamide
CID 63665760
2,3-dichloro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 2127166
2-bromo-N-[(4-propan-2-ylphenyl)methyl]benzenesulfonamide
CID 61384326

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide (CID 61401064) is N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide is O=S(=O)(NCc1ccc(Br)cc1)c1ccccc1Cl.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide?
The InChIKey is GUMUIWZOQIGFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO2S/c14-11-7-5-10(6-8-11)9-16-19(17,18)13-4-2-1-3-12(13)15/h1-8,16H,9H2.
What are the key properties of N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide?
N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide has a molecular weight of 360.66 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-chlorobenzenesulfonamide is sourced from PubChem (CID 61401064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).