5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide

C13H11BrClFN2O2S — CID 66252214

IUPAC5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C13H11BrClFN2O2S/c1-7-3-2-4-9(15)13(7)18-21(19,20)12-6-11(17)10(16)5-8(12)14/h2-6,18H,17H2,1H3
InChIKeyDFUCOXJVVHPYRT-UHFFFAOYSA-N
MW393.67 g/mol
LogP3.93
Rot. Bonds3

About 5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide

5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 66252214) has the molecular formula C13H11BrClFN2O2S and a molecular weight of 393.67 g/mol. Its IUPAC name is 5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide
PubChem CID66252214
Molecular FormulaC13H11BrClFN2O2S
Molecular Weight393.67 g/mol
Exact Mass391.94
IUPAC Name5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cccc(Cl)c1NS(=O)(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C13H11BrClFN2O2S/c1-7-3-2-4-9(15)13(7)18-21(19,20)12-6-11(17)10(16)5-8(12)14/h2-6,18H,17H2,1H3
InChIKeyDFUCOXJVVHPYRT-UHFFFAOYSA-N
XLogP3.93
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.67
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide 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

3-amino-2-bromo-5-chloro-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 66251428
2-amino-4,6-dibromo-N-(2-chloro-6-methylphenyl)benzenesulfonamide
CID 66251819
4-(aminomethyl)-N-(2-chloro-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 106070701
2,5-dibromo-N-(3-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 81427284
5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
5-amino-2-bromo-N-(4-chloro-3-pyridinyl)-4-fluorobenzenesulfonamide
CID 83165731
5-amino-N-(2-bromo-5-methylphenyl)-2-chloro-4-fluorobenzenesulfonamide
CID 82744624
2-bromo-N-(2,6-dichlorophenyl)-4,5-dimethoxybenzenesulfonamide
CID 112773648
N-(2-amino-6-chlorophenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 62086054
5-amino-2-bromo-4-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584554
5-bromo-2-chloro-N-(2-chloro-6-methylphenyl)pyridine-3-sulfonamide
CID 66256091
2-bromo-N-(2,6-dimethylphenyl)-4,5-dimethoxybenzenesulfonamide
CID 27658198

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide (CID 66252214) is 5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide is Cc1cccc(Cl)c1NS(=O)(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is DFUCOXJVVHPYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClFN2O2S/c1-7-3-2-4-9(15)13(7)18-21(19,20)12-6-11(17)10(16)5-8(12)14/h2-6,18H,17H2,1H3.
What are the key properties of 5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide?
5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide has a molecular weight of 393.67 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-N-(2-chloro-6-methylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 66252214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).