N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide

C13H12F2N2O2S — CID 43167025

IUPACN-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8-2-3-9(16)6-13(8)17-20(18,19)10-4-5-11(14)12(15)7-10/h2-7,17H,16H2,1H3
InChIKeyVYOOBVRBWHXATE-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.66
Rot. Bonds3

About N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide

N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 43167025) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
PubChem CID43167025
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC NameN-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
SMILESCc1ccc(N)cc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H12F2N2O2S/c1-8-2-3-9(16)6-13(8)17-20(18,19)10-4-5-11(14)12(15)7-10/h2-7,17H,16H2,1H3
InChIKeyVYOOBVRBWHXATE-UHFFFAOYSA-N
XLogP2.66
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.66
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

N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167027
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
N-(5-amino-2-fluorophenyl)-3-methylbenzenesulfonamide
CID 16773976
N-(5-amino-2-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 43604966
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
3,4-difluoro-N-(4-iodo-2-methylphenyl)benzenesulfonamide
CID 3838245
N-(5-amino-3-methyl-2-pyridinyl)-3,4-difluorobenzenesulfonamide
CID 115910794
3-amino-N-(5-chloro-2-methylphenyl)-5-fluorobenzenesulfonamide
CID 63321951
N-(3-aminophenyl)-3,4-difluorobenzenesulfonamide
CID 43167024
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316
4-amino-N-(2-fluoro-5-methylphenyl)benzenesulfonamide
CID 28968050

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide (CID 43167025) is N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide is Cc1ccc(N)cc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is VYOOBVRBWHXATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-8-2-3-9(16)6-13(8)17-20(18,19)10-4-5-11(14)12(15)7-10/h2-7,17H,16H2,1H3.
What are the key properties of N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide?
N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 298.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43167025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).