3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide

C10H10F4N2O2S — CID 106214896

IUPAC3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2(C(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C10H10F4N2O2S/c11-7-5-6(19(15,17)18)1-2-8(7)16-9(3-4-9)10(12,13)14/h1-2,5,16H,3-4H2,(H2,15,17,18)
InChIKeyFNZHSYLSSXDDRW-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.98
Rot. Bonds3

About 3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide

3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide (PubChem CID 106214896) has the molecular formula C10H10F4N2O2S and a molecular weight of 298.26 g/mol. Its IUPAC name is 3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide
PubChem CID106214896
Molecular FormulaC10H10F4N2O2S
Molecular Weight298.26 g/mol
Exact Mass298.04
IUPAC Name3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(NC2(C(F)(F)F)CC2)c(F)c1
InChIInChI=1S/C10H10F4N2O2S/c11-7-5-6(19(15,17)18)1-2-8(7)16-9(3-4-9)10(12,13)14/h1-2,5,16H,3-4H2,(H2,15,17,18)
InChIKeyFNZHSYLSSXDDRW-UHFFFAOYSA-N
XLogP1.98
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-3-fluorobenzenesulfonamide
CID 107849521
4-[(2-amino-2-methylpropyl)amino]-3-fluorobenzenesulfonamide
CID 115303754
3-fluoro-4-(propylamino)benzenesulfonamide
CID 60713095
3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65110927
4-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-3-fluorobenzenesulfonamide
CID 115309057
4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159062
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415
4-[[1-(dimethylamino)cyclopentyl]methylamino]-3-fluorobenzenesulfonamide
CID 83114460
3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106213729
2,3-difluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzoic acid
CID 106214821
3-fluoro-4-[(2-hydroxycyclohexyl)methylamino]benzenesulfonamide
CID 64911459
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide (CID 106214896) is 3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(NC2(C(F)(F)F)CC2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide?
The InChIKey is FNZHSYLSSXDDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2O2S/c11-7-5-6(19(15,17)18)1-2-8(7)16-9(3-4-9)10(12,13)14/h1-2,5,16H,3-4H2,(H2,15,17,18).
What are the key properties of 3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide?
3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide has a molecular weight of 298.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[[1-(trifluoromethyl)cyclopropyl]amino]benzenesulfonamide is sourced from PubChem (CID 106214896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).