2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide

C9H11F3N2O2S — CID 115406488

IUPAC2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide
SMILESNCc1c(F)cccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H11F3N2O2S/c10-7-2-1-3-8(6(7)4-13)17(15,16)14-5-9(11)12/h1-3,9,14H,4-5,13H2
InChIKeyKTFCAKXYRNGLLG-UHFFFAOYSA-N
MW268.26 g/mol
LogP0.83
Rot. Bonds5

About 2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide

2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide (PubChem CID 115406488) has the molecular formula C9H11F3N2O2S and a molecular weight of 268.26 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide
PubChem CID115406488
Molecular FormulaC9H11F3N2O2S
Molecular Weight268.26 g/mol
Exact Mass268.05
IUPAC Name2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide
SMILESNCc1c(F)cccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H11F3N2O2S/c10-7-2-1-3-8(6(7)4-13)17(15,16)14-5-9(11)12/h1-3,9,14H,4-5,13H2
InChIKeyKTFCAKXYRNGLLG-UHFFFAOYSA-N
XLogP0.83
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406487
2-(2,2-difluoroethylsulfamoyl)-6-fluorobenzenecarbothioamide
CID 115407199
2-(aminomethyl)-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106335923
2-(aminomethyl)-3-fluoro-N-(4-propan-2-yloxybutyl)benzenesulfonamide
CID 106016295
2-amino-N-(2,2-difluoroethyl)-6-fluorobenzenesulfonamide
CID 115405345
2-(aminomethyl)-3-fluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79357983
2-(aminomethyl)-3-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65047751
N-[(2R)-3-amino-2-hydroxypropyl]-2-fluorobenzenesulfonamide
CID 171714588
N-(3-amino-2-hydroxypropyl)-2-fluorobenzenesulfonamide
CID 177376824
3-(aminomethyl)-N-(2,2-difluoroethyl)benzenesulfonamide
CID 115406483
2-(aminomethyl)-N-(2-ethylcyclopropyl)-3-fluorobenzenesulfonamide
CID 114107705
2-amino-3-fluoro-N-(2-phenylpropyl)benzenesulfonamide
CID 62057429

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide (CID 115406488) is 2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide is NCc1c(F)cccc1S(=O)(=O)NCC(F)F.
What is the InChIKey of 2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide?
The InChIKey is KTFCAKXYRNGLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2S/c10-7-2-1-3-8(6(7)4-13)17(15,16)14-5-9(11)12/h1-3,9,14H,4-5,13H2.
What are the key properties of 2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide?
2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide has a molecular weight of 268.26 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2,2-difluoroethyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 115406488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).