3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide

C14H15FN2O2S — CID 28536061

IUPAC3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2F)cc(N)c1C
InChIInChI=1S/C14H15FN2O2S/c1-9-7-11(8-13(16)10(9)2)20(18,19)17-14-6-4-3-5-12(14)15/h3-8,17H,16H2,1-2H3
InChIKeyJJEQDHXCNMTMCQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.83
Rot. Bonds3

About 3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide

3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide (PubChem CID 28536061) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
PubChem CID28536061
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccccc2F)cc(N)c1C
InChIInChI=1S/C14H15FN2O2S/c1-9-7-11(8-13(16)10(9)2)20(18,19)17-14-6-4-3-5-12(14)15/h3-8,17H,16H2,1-2H3
InChIKeyJJEQDHXCNMTMCQ-UHFFFAOYSA-N
XLogP2.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide 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-N-(2-cyanophenyl)-4,5-dimethylbenzenesulfonamide
CID 28522562
N-(2-fluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 17377370
3-amino-4-ethyl-N-(2-fluorophenyl)benzenesulfonamide
CID 43257631
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980
3-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 28525479
3-amino-5-fluoro-4-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 116791990
3-amino-N-(4-chloro-3-fluorophenyl)-4,5-dimethylbenzenesulfonamide
CID 61467057
3-amino-N-(4-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 29276916
N-(2-fluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 40727137
3-amino-4-fluoro-N-(2-methoxyphenyl)-5-methylbenzenesulfonamide
CID 115421139
3-amino-N-(4-bromo-2-chlorophenyl)-4,5-dimethylbenzenesulfonamide
CID 43168118
3-amino-5-chloro-N-(4-chloro-2-fluorophenyl)-4-methylbenzenesulfonamide
CID 61107975

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide (CID 28536061) is 3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccccc2F)cc(N)c1C.
What is the InChIKey of 3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide?
The InChIKey is JJEQDHXCNMTMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-7-11(8-13(16)10(9)2)20(18,19)17-14-6-4-3-5-12(14)15/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide?
3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide has a molecular weight of 294.35 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-fluorophenyl)-4,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 28536061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).