4-amino-N-(2,2-difluoropropyl)benzenesulfonamide

C9H12F2N2O2S — CID 71579055

IUPAC4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
SMILESCC(F)(F)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
InChIKeyLKCDWLBHZJJIJK-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.20
Rot. Bonds4

About 4-amino-N-(2,2-difluoropropyl)benzenesulfonamide

4-amino-N-(2,2-difluoropropyl)benzenesulfonamide (PubChem CID 71579055) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
PubChem CID71579055
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC Name4-amino-N-(2,2-difluoropropyl)benzenesulfonamide
SMILESCC(F)(F)CNS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
InChIKeyLKCDWLBHZJJIJK-UHFFFAOYSA-N
XLogP1.20
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.20
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-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 4962703
1-N-(2-amino-2-methylpropyl)-4-N-(2,2,2-trifluoroethyl)benzene-1,4-disulfonamide
CID 119988277
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
N-(2-amino-2,2-difluoroethyl)-4-methylbenzenesulfonamide
CID 130184477
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
4-amino-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43545911
2-bromo-4-(2,2-difluoropropylsulfamoyl)benzoic acid
CID 146130947
tert-butyl 2-[(4-aminophenyl)sulfonylamino]acetate
CID 22456387
N-(2-amino-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119988328

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoropropyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(2,2-difluoropropyl)benzenesulfonamide (CID 71579055) is 4-amino-N-(2,2-difluoropropyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoropropyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,2-difluoropropyl)benzenesulfonamide is CC(F)(F)CNS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(2,2-difluoropropyl)benzenesulfonamide?
The InChIKey is LKCDWLBHZJJIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3.
What are the key properties of 4-amino-N-(2,2-difluoropropyl)benzenesulfonamide?
4-amino-N-(2,2-difluoropropyl)benzenesulfonamide has a molecular weight of 250.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoropropyl)benzenesulfonamide is sourced from PubChem (CID 71579055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).