N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide

C13H13FN2O2S — CID 43602694

IUPACN-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2cccc(N)c2)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-5-6-12(14)13(7-9)19(17,18)16-11-4-2-3-10(15)8-11/h2-8,16H,15H2,1H3
InChIKeySRFHQMGLQZPGOP-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.52
Rot. Bonds3

About N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide

N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide (PubChem CID 43602694) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
PubChem CID43602694
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide
SMILESCc1ccc(F)c(S(=O)(=O)Nc2cccc(N)c2)c1
InChIInChI=1S/C13H13FN2O2S/c1-9-5-6-12(14)13(7-9)19(17,18)16-11-4-2-3-10(15)8-11/h2-8,16H,15H2,1H3
InChIKeySRFHQMGLQZPGOP-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-aminophenyl)-2-fluoro-5-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

5-amino-2-fluoro-N-(3-fluorophenyl)benzenesulfonamide
CID 43255416
N-(3-aminophenyl)-2-methylbenzenesulfonamide
CID 39362189
2-fluoro-5-methyl-N-[2-methyl-5-[(3-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 60532585
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024
4-amino-2-bromo-N-(3-methylphenyl)benzenesulfonamide
CID 43255899
N-(3-aminophenyl)-3-chloro-2-methylbenzenesulfonamide
CID 43602696
2-fluoro-N-(3-fluoro-4-methylsulfinylphenyl)-5-methylbenzenesulfonamide
CID 71998236
5-amino-2-fluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584501
N-(4-ethylsulfonylphenyl)-2-fluoro-5-methylbenzenesulfonamide
CID 60531678
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzenesulfonamide
CID 107571249
5-amino-2-chloro-4-fluoro-N-(3-methylphenyl)benzenesulfonamide
CID 61111881
5-amino-N-(4-chlorophenyl)-2-fluorobenzenesulfonamide
CID 43255417

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide?
The IUPAC name of N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide (CID 43602694) is N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide?
The canonical SMILES for N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide is Cc1ccc(F)c(S(=O)(=O)Nc2cccc(N)c2)c1.
What is the InChIKey of N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide?
The InChIKey is SRFHQMGLQZPGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-5-6-12(14)13(7-9)19(17,18)16-11-4-2-3-10(15)8-11/h2-8,16H,15H2,1H3.
What are the key properties of N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide?
N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-2-fluoro-5-methylbenzenesulfonamide is sourced from PubChem (CID 43602694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).