N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide

C13H12ClFN2O2S — CID 39457127

IUPACN-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(Cl)c(N)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H12ClFN2O2S/c1-17(10-4-7-12(14)13(16)8-10)20(18,19)11-5-2-9(15)3-6-11/h2-8H,16H2,1H3
InChIKeyJLPXGWPJGMVJKP-UHFFFAOYSA-N
MW314.77 g/mol
LogP2.89
Rot. Bonds3

About N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide

N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 39457127) has the molecular formula C13H12ClFN2O2S and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide
PubChem CID39457127
Molecular FormulaC13H12ClFN2O2S
Molecular Weight314.77 g/mol
Exact Mass314.03
IUPAC NameN-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(c1ccc(Cl)c(N)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H12ClFN2O2S/c1-17(10-4-7-12(14)13(16)8-10)20(18,19)11-5-2-9(15)3-6-11/h2-8H,16H2,1H3
InChIKeyJLPXGWPJGMVJKP-UHFFFAOYSA-N
XLogP2.89
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide 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

N-(3-amino-4-ethylphenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 39444301
3-amino-4-chloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 58022194
3-chloro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94621880
N-(3-amino-4-fluorophenyl)-4-ethyl-N-methylbenzenesulfonamide
CID 39444297
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
N-(4-aminophenyl)-3,4-dichloro-N-methylbenzenesulfonamide
CID 43344069
3-chloro-N-(4-fluorophenyl)-4-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 107090740
N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224
6-chloro-N-(4-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 47310666
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]-N-pentylbenzamide
CID 27659841
2-chloro-N-cyclopropyl-5-[(4-fluorophenyl)-methylsulfamoyl]benzamide
CID 27537238

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide (CID 39457127) is N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide is CN(c1ccc(Cl)c(N)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is JLPXGWPJGMVJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O2S/c1-17(10-4-7-12(14)13(16)8-10)20(18,19)11-5-2-9(15)3-6-11/h2-8H,16H2,1H3.
What are the key properties of N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide?
N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 314.77 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-chlorophenyl)-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 39457127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).