2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide

C14H15FN2O2S — CID 62057436

IUPAC2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(F)c2N)c1C
InChIInChI=1S/C14H15FN2O2S/c1-9-5-3-7-12(10(9)2)17-20(18,19)13-8-4-6-11(15)14(13)16/h3-8,17H,16H2,1-2H3
InChIKeyIDPQDRDASUFXIA-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.83
Rot. Bonds3

About 2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide

2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide (PubChem CID 62057436) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
PubChem CID62057436
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(F)c2N)c1C
InChIInChI=1S/C14H15FN2O2S/c1-9-5-3-7-12(10(9)2)17-20(18,19)13-8-4-6-11(15)14(13)16/h3-8,17H,16H2,1-2H3
InChIKeyIDPQDRDASUFXIA-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

2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-fluorobenzenesulfonamide
CID 102803480
2-amino-N-(3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 62158167
N-(2,3-dimethylphenyl)-4-fluoronaphthalene-1-sulfonamide
CID 86061932
2-amino-N-(2,4-difluorophenyl)-3-fluorobenzenesulfonamide
CID 62058440
2-amino-N-(3-fluoro-2-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171388
3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 107343733
5-amino-2-fluoro-N-(3-fluoro-2-methylphenyl)-3-methylbenzenesulfonamide
CID 80629184
N-(2,3-dimethylphenyl)-3,5-difluorobenzenesulfonamide
CID 26952276
2-amino-N-(3-bromophenyl)-3-fluorobenzenesulfonamide
CID 62057135
5-amino-N-(3-bromo-2-methylphenyl)-2-fluoro-4-methylbenzenesulfonamide
CID 107624447
N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
CID 43330093
N-(3-amino-2,4-difluorophenyl)-3-fluoro-2,4-dimethylbenzenesulfonamide
CID 171763125

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide (CID 62057436) is 2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide is Cc1cccc(NS(=O)(=O)c2cccc(F)c2N)c1C.
What is the InChIKey of 2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide?
The InChIKey is IDPQDRDASUFXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-5-3-7-12(10(9)2)17-20(18,19)13-8-4-6-11(15)14(13)16/h3-8,17H,16H2,1-2H3.
What are the key properties of 2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide?
2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide 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 2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 62057436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).