2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide

C8H9F3N2O2S — CID 115405345

IUPAC2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C8H9F3N2O2S/c9-5-2-1-3-6(12)8(5)16(14,15)13-4-7(10)11/h1-3,7,13H,4,12H2
InChIKeyNYVFNJWWPLHZCZ-UHFFFAOYSA-N
MW254.23 g/mol
LogP0.95
Rot. Bonds4

About 2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide

2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide (PubChem CID 115405345) has the molecular formula C8H9F3N2O2S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
PubChem CID115405345
Molecular FormulaC8H9F3N2O2S
Molecular Weight254.23 g/mol
Exact Mass254.03
IUPAC Name2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
SMILESNc1cccc(F)c1S(=O)(=O)NCC(F)F
InChIInChI=1S/C8H9F3N2O2S/c9-5-2-1-3-6(12)8(5)16(14,15)13-4-7(10)11/h1-3,7,13H,4,12H2
InChIKeyNYVFNJWWPLHZCZ-UHFFFAOYSA-N
XLogP0.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide (CID 115405345) is 2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide is Nc1cccc(F)c1S(=O)(=O)NCC(F)F.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide?
The InChIKey is NYVFNJWWPLHZCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2S/c9-5-2-1-3-6(12)8(5)16(14,15)13-4-7(10)11/h1-3,7,13H,4,12H2.
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide?
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide has a molecular weight of 254.23 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide is sourced from PubChem (CID 115405345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).