1-(trifluoromethyl)cyclopropane-1-sulfonamide

C4H6F3NO2S — CID 68956170

IUPAC1-(trifluoromethyl)cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C4H6F3NO2S/c5-4(6,7)3(1-2-3)11(8,9)10/h1-2H2,(H2,8,9,10)
InChIKeyUXSKTGKUCBXHGF-UHFFFAOYSA-N
MW189.16 g/mol
LogP0.37
Rot. Bonds1

About 1-(trifluoromethyl)cyclopropane-1-sulfonamide

1-(trifluoromethyl)cyclopropane-1-sulfonamide (PubChem CID 68956170) has the molecular formula C4H6F3NO2S and a molecular weight of 189.16 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclopropane-1-sulfonamide.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclopropane-1-sulfonamide
PubChem CID68956170
Molecular FormulaC4H6F3NO2S
Molecular Weight189.16 g/mol
Exact Mass189.01
IUPAC Name1-(trifluoromethyl)cyclopropane-1-sulfonamide
SMILESNS(=O)(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C4H6F3NO2S/c5-4(6,7)3(1-2-3)11(8,9)10/h1-2H2,(H2,8,9,10)
InChIKeyUXSKTGKUCBXHGF-UHFFFAOYSA-N
XLogP0.37
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Difluoromethyl)cyclopropanesulfonamide
CID 68182898
1-(Difluoromethyl)cyclopropane-1-sulfonyl chloride
CID 131316551
1-Fluorocyclopropane-1-sulfonamide
CID 66764991
1-(2,2-Difluoroethyl)cyclopropane-1-sulfonamide
CID 68108227
1,2-Difluorocyclopropane-1-sulfonamide
CID 69468841
1-(Fluoromethyl)cyclopropane-1-sulfonamide
CID 71742710
1-Fluoro-cyclopropane sulfonyl amide
CID 86627759
1,1,1,3,3,3-Hexafluoro-2-methylpropane-2-sulfonamide
CID 89110505
1-(Trifluoromethyl)cyclopropane-1-sulfinate
CID 118236232
(2,2-Difluorocyclopropyl)methanesulfonamide
CID 154255606
Fluoro cyclopropyl(difluoro)methanesulfonate
CID 161043921
1,1,2,2,4,4,4-Heptafluorobutane-1-sulfonamide
CID 174993352

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclopropane-1-sulfonamide?
The IUPAC name of 1-(trifluoromethyl)cyclopropane-1-sulfonamide (CID 68956170) is 1-(trifluoromethyl)cyclopropane-1-sulfonamide.
What is the SMILES notation for 1-(trifluoromethyl)cyclopropane-1-sulfonamide?
The canonical SMILES for 1-(trifluoromethyl)cyclopropane-1-sulfonamide is NS(=O)(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of 1-(trifluoromethyl)cyclopropane-1-sulfonamide?
The InChIKey is UXSKTGKUCBXHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F3NO2S/c5-4(6,7)3(1-2-3)11(8,9)10/h1-2H2,(H2,8,9,10).
What are the key properties of 1-(trifluoromethyl)cyclopropane-1-sulfonamide?
1-(trifluoromethyl)cyclopropane-1-sulfonamide has a molecular weight of 189.16 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclopropane-1-sulfonamide is sourced from PubChem (CID 68956170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).