4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide

C13H12BrClN2O2S — CID 43256354

IUPAC4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C13H12BrClN2O2S/c1-8-11(15)3-2-4-12(8)17-20(18,19)13-6-5-9(16)7-10(13)14/h2-7,17H,16H2,1H3
InChIKeyDBRHLWSSXCAOLR-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.79
Rot. Bonds3

About 4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide

4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide (PubChem CID 43256354) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is 4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
PubChem CID43256354
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC Name4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide
SMILESCc1c(Cl)cccc1NS(=O)(=O)c1ccc(N)cc1Br
InChIInChI=1S/C13H12BrClN2O2S/c1-8-11(15)3-2-4-12(8)17-20(18,19)13-6-5-9(16)7-10(13)14/h2-7,17H,16H2,1H3
InChIKeyDBRHLWSSXCAOLR-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

3-amino-5-bromo-N-(3-chloro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 114378692
3-amino-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 18070649
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 81427284
5-amino-3-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 43258199
5-amino-2-bromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 65202096
5-amino-N-(3-chloro-2-methylphenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629038
4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83165562
5-amino-N-(3-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 107624395
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910
2,4-dibromo-N-(2,3-dichlorophenyl)benzenesulfonamide
CID 60823150
2,4-dibromo-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 61216757

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide (CID 43256354) is 4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide is Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(N)cc1Br.
What is the InChIKey of 4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
The InChIKey is DBRHLWSSXCAOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c1-8-11(15)3-2-4-12(8)17-20(18,19)13-6-5-9(16)7-10(13)14/h2-7,17H,16H2,1H3.
What are the key properties of 4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide?
4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide 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 4-amino-2-bromo-N-(3-chloro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 43256354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).