4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide

C13H12BrClN2O2S — CID 19023266

IUPAC4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CBr)cc1Nc1cccc(Cl)c1
InChIInChI=1S/C13H12BrClN2O2S/c14-8-9-4-5-13(20(16,18)19)12(6-9)17-11-3-1-2-10(15)7-11/h1-7,17H,8H2,(H2,16,18,19)
InChIKeyCGCJOMVZCCRKSK-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.63
Rot. Bonds4

About 4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide

4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide (PubChem CID 19023266) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide
PubChem CID19023266
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC Name4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CBr)cc1Nc1cccc(Cl)c1
InChIInChI=1S/C13H12BrClN2O2S/c14-8-9-4-5-13(20(16,18)19)12(6-9)17-11-3-1-2-10(15)7-11/h1-7,17H,8H2,(H2,16,18,19)
InChIKeyCGCJOMVZCCRKSK-UHFFFAOYSA-N
XLogP3.63
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[3-(aminomethyl)anilino]benzenesulfonamide
CID 63767784
[3-(2-amino-5-chloroanilino)phenyl]methanesulfonamide
CID 176707049
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
2-bromo-4-chlorobenzenesulfonamide
CID 79018093
N-[4-(3-chloroanilino)-1H-pyrazol-5-yl]methanesulfonamide
CID 57244208
2-amino-3-(3-chloro-4-fluoroanilino)benzenesulfonamide
CID 115992341
2-[4-(3-chloroanilino)-3-fluorophenyl]acetic acid
CID 95483501
N,N'-bis(3-chlorophenyl)ethane-1,2-diamine
CID 14274750
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]thiourea
CID 3767794
1-(3-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1203825
4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide
CID 43342532
2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide
CID 79466509

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide (CID 19023266) is 4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide is NS(=O)(=O)c1ccc(CBr)cc1Nc1cccc(Cl)c1.
What is the InChIKey of 4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide?
The InChIKey is CGCJOMVZCCRKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c14-8-9-4-5-13(20(16,18)19)12(6-9)17-11-3-1-2-10(15)7-11/h1-7,17H,8H2,(H2,16,18,19).
What are the key properties of 4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide?
4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide has a molecular weight of 375.68 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-(3-chloroanilino)benzenesulfonamide is sourced from PubChem (CID 19023266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).