3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide

C14H15FN2O2S — CID 79048625

IUPAC3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2cccc(N)c2C)c1
InChIInChI=1S/C14H15FN2O2S/c1-9-6-11(15)8-12(7-9)17-20(18,19)14-5-3-4-13(16)10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyOWCNKTXZMCKXLT-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.83
Rot. Bonds3

About 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide

3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 79048625) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID79048625
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2cccc(N)c2C)c1
InChIInChI=1S/C14H15FN2O2S/c1-9-6-11(15)8-12(7-9)17-20(18,19)14-5-3-4-13(16)10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyOWCNKTXZMCKXLT-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'}

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Related Compounds

3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875
2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 79041128
3-amino-2-methyl-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 28550882
5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114625894
2-amino-N-(3,5-difluorophenyl)-6-methylbenzenesulfonamide
CID 43452412
5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79041421
3-amino-5-chloro-N-(3-chloro-5-fluorophenyl)-2-methylbenzenesulfonamide
CID 107363523
3-N-(3-fluoro-5-methylphenyl)-2-methylbenzene-1,3-diamine
CID 79048706
3-amino-2-methyl-N-(2-methylsulfanylphenyl)benzenesulfonamide
CID 61104840
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide (CID 79048625) is 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide is Cc1cc(F)cc(NS(=O)(=O)c2cccc(N)c2C)c1.
What is the InChIKey of 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is OWCNKTXZMCKXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-6-11(15)8-12(7-9)17-20(18,19)14-5-3-4-13(16)10(14)2/h3-8,17H,16H2,1-2H3.
What are the key properties of 3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide?
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide 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-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 79048625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).