N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide

C13H12BrClN2O2S — CID 43259134

IUPACN-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(N)c1
InChIInChI=1S/C13H12BrClN2O2S/c1-8-2-4-12(11(16)6-8)17-20(18,19)13-5-3-9(14)7-10(13)15/h2-7,17H,16H2,1H3
InChIKeyUPYOJALEOIAVFM-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.79
Rot. Bonds3

About N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide

N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide (PubChem CID 43259134) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
PubChem CID43259134
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC NameN-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(N)c1
InChIInChI=1S/C13H12BrClN2O2S/c1-8-2-4-12(11(16)6-8)17-20(18,19)13-5-3-9(14)7-10(13)15/h2-7,17H,16H2,1H3
InChIKeyUPYOJALEOIAVFM-UHFFFAOYSA-N
XLogP3.79
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(4-bromo-2-chlorophenyl)-4-methylbenzenesulfonamide
CID 43258932
4-bromo-N-(2-bromo-4-methylphenyl)-2-chlorobenzenesulfonamide
CID 28829084
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
4-bromo-N-(4-bromo-2-methylphenyl)-2-chlorobenzenesulfonamide
CID 28828912
N-(3-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzenesulfonamide
CID 60971720
N-(3-amino-4-pyridinyl)-4-bromo-2-chlorobenzenesulfonamide
CID 63062265
1-N-(4-bromo-2-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 43349543
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869
4-bromo-N-(4-bromo-2-cyanophenyl)-2-chlorobenzenesulfonamide
CID 82695339
2-amino-5-bromo-N-(2-chloro-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 106491352
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947
N-(2-amino-4-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 43259125

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide (CID 43259134) is N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2Cl)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide?
The InChIKey is UPYOJALEOIAVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c1-8-2-4-12(11(16)6-8)17-20(18,19)13-5-3-9(14)7-10(13)15/h2-7,17H,16H2,1H3.
What are the key properties of N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide?
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide has a molecular weight of 375.68 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide is sourced from PubChem (CID 43259134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).