3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide

C13H12ClFN2O2S — CID 103050305

IUPAC3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C13H12ClFN2O2S/c1-8-4-2-3-5-11(8)17-20(18,19)12-7-9(14)6-10(16)13(12)15/h2-7,17H,16H2,1H3
InChIKeyPWXIZRPTKRUTLG-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.17
Rot. Bonds3

About 3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide

3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 103050305) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide
PubChem CID103050305
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC Name3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C13H12ClFN2O2S/c1-8-4-2-3-5-11(8)17-20(18,19)12-7-9(14)6-10(16)13(12)15/h2-7,17H,16H2,1H3
InChIKeyPWXIZRPTKRUTLG-UHFFFAOYSA-N
XLogP3.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide 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-5-chloro-N-(3-chloro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103050336
3-amino-5-chloro-2-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 103050320
3-amino-5-chloro-2-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 103050231
3-amino-5-chloro-N-(4-chloro-2-iodophenyl)-2-fluorobenzenesulfonamide
CID 107624597
3-amino-5-chloro-2-fluoro-N-pyridin-2-ylbenzenesulfonamide
CID 103050176
3-amino-5-chloro-N-(4,6-dimethylpyrimidin-2-yl)-2-fluorobenzenesulfonamide
CID 103050411
3-amino-5-chloro-N-(6-chloro-2-pyridinyl)-2-fluorobenzenesulfonamide
CID 103051902
5-chloro-N-(3-chloro-2-fluorophenyl)-2-methylbenzenesulfonamide
CID 38890087
3-amino-5-chloro-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 103050184
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
3-amino-N-(5-bromo-2-methylphenyl)-5-chloro-2-methylbenzenesulfonamide
CID 114379014
3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103050583

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide (CID 103050305) is 3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide is Cc1ccccc1NS(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is PWXIZRPTKRUTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-8-4-2-3-5-11(8)17-20(18,19)12-7-9(14)6-10(16)13(12)15/h2-7,17H,16H2,1H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 103050305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).