N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide

C13H13FN2O2S — CID 16774316

IUPACN-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cc(N)ccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2S/c1-9-8-11(15)4-7-13(9)16-19(17,18)12-5-2-10(14)3-6-12/h2-8,16H,15H2,1H3
InChIKeyBALUZLZWDGPVFI-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.52
Rot. Bonds3

About N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide

N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide (PubChem CID 16774316) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
PubChem CID16774316
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
SMILESCc1cc(N)ccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H13FN2O2S/c1-9-8-11(15)4-7-13(9)16-19(17,18)12-5-2-10(14)3-6-12/h2-8,16H,15H2,1H3
InChIKeyBALUZLZWDGPVFI-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'}

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Related Compounds

3-amino-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 16790210
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060
N-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
4-amino-2-bromo-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 43256139
N-(4-butyl-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 3597119
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
N-(4-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 43629227
N-(4-amino-2-methylphenyl)pyridine-3-sulfonamide
CID 24696951
4-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 43257739
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide (CID 16774316) is N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide is Cc1cc(N)ccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide?
The InChIKey is BALUZLZWDGPVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-8-11(15)4-7-13(9)16-19(17,18)12-5-2-10(14)3-6-12/h2-8,16H,15H2,1H3.
What are the key properties of N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide?
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide 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-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 16774316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).