2-(2,2-difluoroethylamino)benzenesulfonamide

C8H10F2N2O2S — CID 115407559

IUPAC2-(2,2-difluoroethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCC(F)F
InChIInChI=1S/C8H10F2N2O2S/c9-8(10)5-12-6-3-1-2-4-7(6)15(11,13)14/h1-4,8,12H,5H2,(H2,11,13,14)
InChIKeySNUCMWVYPHCHPW-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.01
Rot. Bonds4

About 2-(2,2-difluoroethylamino)benzenesulfonamide

2-(2,2-difluoroethylamino)benzenesulfonamide (PubChem CID 115407559) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)benzenesulfonamide
PubChem CID115407559
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC Name2-(2,2-difluoroethylamino)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1NCC(F)F
InChIInChI=1S/C8H10F2N2O2S/c9-8(10)5-12-6-3-1-2-4-7(6)15(11,13)14/h1-4,8,12H,5H2,(H2,11,13,14)
InChIKeySNUCMWVYPHCHPW-UHFFFAOYSA-N
XLogP1.01
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
2-(2-methylbutylamino)benzenesulfonamide
CID 62692672
2-hydroxy-3-(2-sulfamoylanilino)propanamide
CID 106170840
2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2-(2,2,3,3-tetrafluoropropylamino)benzenesulfonamide
CID 106293975
2-[(2-amino-4,4-dimethylpentyl)amino]benzenesulfonamide
CID 107159038
2-(difluoromethylsulfonylamino)benzenesulfonamide
CID 61132086
2-(2,3-dimethoxypropylamino)benzenesulfonamide
CID 114100732
3-methyl-4-(2-sulfamoylanilino)butanoic acid
CID 81065364
2-(2,2-dimethylpropylamino)benzenesulfonamide
CID 61166662
2-(3-methylbutylamino)benzenesulfonamide
CID 43454227
2-[(3-amino-2,2-difluoropropyl)amino]benzenesulfonamide
CID 114384513

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)benzenesulfonamide?
The IUPAC name of 2-(2,2-difluoroethylamino)benzenesulfonamide (CID 115407559) is 2-(2,2-difluoroethylamino)benzenesulfonamide.
What is the SMILES notation for 2-(2,2-difluoroethylamino)benzenesulfonamide?
The canonical SMILES for 2-(2,2-difluoroethylamino)benzenesulfonamide is NS(=O)(=O)c1ccccc1NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)benzenesulfonamide?
The InChIKey is SNUCMWVYPHCHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c9-8(10)5-12-6-3-1-2-4-7(6)15(11,13)14/h1-4,8,12H,5H2,(H2,11,13,14).
What are the key properties of 2-(2,2-difluoroethylamino)benzenesulfonamide?
2-(2,2-difluoroethylamino)benzenesulfonamide has a molecular weight of 236.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)benzenesulfonamide is sourced from PubChem (CID 115407559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).