2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide

C13H13FN2O2S2 — CID 80645469

IUPAC2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Sc2ccc(F)cc2)cc1N
InChIInChI=1S/C13H13FN2O2S2/c1-16-20(17,18)13-7-6-11(8-12(13)15)19-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3
InChIKeyIMZYSKCSUZPULN-UHFFFAOYSA-N
MW312.39 g/mol
LogP2.47
Rot. Bonds4

About 2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide

2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide (PubChem CID 80645469) has the molecular formula C13H13FN2O2S2 and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide
PubChem CID80645469
Molecular FormulaC13H13FN2O2S2
Molecular Weight312.39 g/mol
Exact Mass312.04
IUPAC Name2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Sc2ccc(F)cc2)cc1N
InChIInChI=1S/C13H13FN2O2S2/c1-16-20(17,18)13-7-6-11(8-12(13)15)19-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3
InChIKeyIMZYSKCSUZPULN-UHFFFAOYSA-N
XLogP2.47
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-(4-fluorophenyl)sulfanyl-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

1-[2-amino-4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 113423330
2-amino-4-(3-fluoro-N-methylanilino)-N-methylbenzenesulfonamide
CID 80641129
4-amino-N-ethyl-3-(4-fluorophenyl)sulfanylbenzenesulfonamide
CID 82901758
2-amino-4-(3-fluoro-4-methylanilino)-N-methylbenzenesulfonamide
CID 80642093
4-fluoro-N-methyl-2-(trifluoromethyl)benzenesulfonamide
CID 165446474
2-amino-N-methyl-4-(2-sulfamoylethylamino)benzenesulfonamide
CID 80645656
5-(4-fluorophenyl)sulfanyl-2-nitroaniline
CID 22180725
2-amino-4-(3-hydroxypropylamino)-N-methylbenzenesulfonamide
CID 80645934
2-amino-4-fluoro-N-(3,4,5-trifluorophenyl)benzenesulfonamide
CID 62809639
5-fluoro-2-methylsulfonylaniline
CID 22567345
2-amino-N-methyl-4-(octylamino)benzenesulfonamide
CID 115566200
5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide
CID 125454362

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide?
The IUPAC name of 2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide (CID 80645469) is 2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Sc2ccc(F)cc2)cc1N.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide?
The InChIKey is IMZYSKCSUZPULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S2/c1-16-20(17,18)13-7-6-11(8-12(13)15)19-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3.
What are the key properties of 2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide?
2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide has a molecular weight of 312.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)sulfanyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 80645469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).