N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide

C7H12F3NO2S — CID 83068036

IUPACN-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CC1
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)4-1-5-14(12,13)11-6-2-3-6/h6,11H,1-5H2
InChIKeyXFIUMSMGQCAKTF-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.41
Rot. Bonds5

About N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide

N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide (PubChem CID 83068036) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide
PubChem CID83068036
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC NameN-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide
SMILESO=S(=O)(CCCC(F)(F)F)NC1CC1
InChIInChI=1S/C7H12F3NO2S/c8-7(9,10)4-1-5-14(12,13)11-6-2-3-6/h6,11H,1-5H2
InChIKeyXFIUMSMGQCAKTF-UHFFFAOYSA-N
XLogP1.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide?
The IUPAC name of N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide (CID 83068036) is N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide.
What is the SMILES notation for N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide?
The canonical SMILES for N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide is O=S(=O)(CCCC(F)(F)F)NC1CC1.
What is the InChIKey of N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide?
The InChIKey is XFIUMSMGQCAKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c8-7(9,10)4-1-5-14(12,13)11-6-2-3-6/h6,11H,1-5H2.
What are the key properties of N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide?
N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide has a molecular weight of 231.24 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4,4,4-trifluorobutane-1-sulfonamide is sourced from PubChem (CID 83068036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).