2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide

C9H12F2N2O2S — CID 115407635

IUPAC2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC(F)F
InChIInChI=1S/C9H12F2N2O2S/c1-12-16(14,15)8-5-3-2-4-7(8)13-6-9(10)11/h2-5,9,12-13H,6H2,1H3
InChIKeyQOFNMPMKESKXRP-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.27
Rot. Bonds5

About 2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide

2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide (PubChem CID 115407635) has the molecular formula C9H12F2N2O2S and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
PubChem CID115407635
Molecular FormulaC9H12F2N2O2S
Molecular Weight250.27 g/mol
Exact Mass250.06
IUPAC Name2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCC(F)F
InChIInChI=1S/C9H12F2N2O2S/c1-12-16(14,15)8-5-3-2-4-7(8)13-6-9(10)11/h2-5,9,12-13H,6H2,1H3
InChIKeyQOFNMPMKESKXRP-UHFFFAOYSA-N
XLogP1.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-difluoroethylamino)-N-propan-2-ylbenzenesulfonamide
CID 113303827
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
N-methyl-2-[[2-methyl-3-(methylamino)propyl]amino]benzenesulfonamide
CID 113282668
2-(2-methoxypropylamino)-N-methylbenzenesulfonamide
CID 102698834
2-(2,2-difluoroethylamino)benzenesulfonamide
CID 115407559
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylbenzenesulfonamide
CID 107441821
2-[(3-ethyl-2-hydroxypentyl)amino]-N-methylbenzenesulfonamide
CID 106287402
2-[(4-amino-2-methylbutyl)amino]-N-methylbenzenesulfonamide
CID 66106821
2-[[2-(methylsulfamoyl)anilino]methyl]butanoic acid
CID 65226875
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
N-methyl-2-(3-methylpentan-2-ylamino)benzenesulfonamide
CID 43749839
N-methyl-2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]benzenesulfonamide
CID 62994735

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide (CID 115407635) is 2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide?
The InChIKey is QOFNMPMKESKXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2S/c1-12-16(14,15)8-5-3-2-4-7(8)13-6-9(10)11/h2-5,9,12-13H,6H2,1H3.
What are the key properties of 2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide?
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide has a molecular weight of 250.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide is sourced from PubChem (CID 115407635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).