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

C13H12F2N2O2S — CID 43604849

IUPACN-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1N
InChIInChI=1S/C13H12F2N2O2S/c1-8-4-11(2-3-13(8)16)17-20(18,19)12-6-9(14)5-10(15)7-12/h2-7,17H,16H2,1H3
InChIKeyAZORUNYHCSSRDV-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.66
Rot. Bonds3

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

N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide (PubChem CID 43604849) has the molecular formula C13H12F2N2O2S and a molecular weight of 298.31 g/mol. Its IUPAC name is N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
PubChem CID43604849
Molecular FormulaC13H12F2N2O2S
Molecular Weight298.31 g/mol
Exact Mass298.06
IUPAC NameN-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1N
InChIInChI=1S/C13H12F2N2O2S/c1-8-4-11(2-3-13(8)16)17-20(18,19)12-6-9(14)5-10(15)7-12/h2-7,17H,16H2,1H3
InChIKeyAZORUNYHCSSRDV-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-(4-amino-3-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326089
N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
CID 43604908
3-amino-N-(3,4-dimethylphenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421078
3,5-difluoro-N-[4-(methylamino)phenyl]benzenesulfonamide
CID 43604154
3-amino-N-(4-fluoro-3-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 62809980
N-(3-amino-4-methylphenyl)-3-fluorobenzenesulfonamide
CID 24708334
N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
N-(6-amino-3-pyridinyl)-3,5-difluorobenzenesulfonamide
CID 60791459
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
3-amino-5-fluoro-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 116791365
3-amino-N-(4-bromophenyl)-4-fluoro-5-methylbenzenesulfonamide
CID 115421089
2-amino-5-fluoro-N-(4-fluoro-3-methylphenyl)benzenesulfonamide
CID 62811281

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide?
The IUPAC name of N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide (CID 43604849) is N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(F)cc(F)c2)ccc1N.
What is the InChIKey of N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide?
The InChIKey is AZORUNYHCSSRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2S/c1-8-4-11(2-3-13(8)16)17-20(18,19)12-6-9(14)5-10(15)7-12/h2-7,17H,16H2,1H3.
What are the key properties of N-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide?
N-(4-amino-3-methylphenyl)-3,5-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-(4-amino-3-methylphenyl)-3,5-difluorobenzenesulfonamide is sourced from PubChem (CID 43604849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).