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

C14H15FN2O2S — CID 43257739

IUPAC4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C14H15FN2O2S/c1-9-3-4-11(15)8-13(9)17-20(18,19)14-6-5-12(16)7-10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyACNVXCYTBMVARG-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.83
Rot. Bonds3

About 4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide

4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide (PubChem CID 43257739) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
PubChem CID43257739
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccc(N)cc1C
InChIInChI=1S/C14H15FN2O2S/c1-9-3-4-11(15)8-13(9)17-20(18,19)14-6-5-12(16)7-10(14)2/h3-8,17H,16H2,1-2H3
InChIKeyACNVXCYTBMVARG-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

4-amino-2-methyl-N-(2,3,5-trifluorophenyl)benzenesulfonamide
CID 62809289
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
N-(5-amino-2-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 43344317
4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 60984738
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
N-(5-amino-2-bromo-4-methylphenyl)-4-fluoro-2-methylbenzenesulfonamide
CID 104814659
4-fluoro-N-[5-(hydroxymethyl)-2-methylphenyl]-2-methylbenzenesulfonamide
CID 111444685
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
N-(4-amino-2-methylphenyl)-2,4-dimethylbenzenesulfonamide
CID 43120010
N-(5-amino-2-fluorophenyl)-4-chloro-2-methylbenzenesulfonamide
CID 43604953
5-tert-butyl-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 7939111
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide (CID 43257739) is 4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1ccc(N)cc1C.
What is the InChIKey of 4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
The InChIKey is ACNVXCYTBMVARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-9-3-4-11(15)8-13(9)17-20(18,19)14-6-5-12(16)7-10(14)2/h3-8,17H,16H2,1-2H3.
What are the key properties of 4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide?
4-amino-N-(5-fluoro-2-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 4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 43257739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).