N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide

C7H12F3NO2S — CID 106212637

IUPACN-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO2S/c1-2-5-14(12,13)11-6(3-4-6)7(8,9)10/h11H,2-5H2,1H3
InChIKeyIDRRPYDOICGJRC-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.41
Rot. Bonds4

About N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide

N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide (PubChem CID 106212637) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
PubChem CID106212637
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C7H12F3NO2S/c1-2-5-14(12,13)11-6(3-4-6)7(8,9)10/h11H,2-5H2,1H3
InChIKeyIDRRPYDOICGJRC-UHFFFAOYSA-N
XLogP1.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

N-tert-Butylcyclopropanesulfonamide
CID 22499301
N-tert-butyl-2,2,2-trifluoroethanesulfonamide
CID 21027127
N-tert-butyl-1,1-difluoromethanesulfonamide
CID 64541188
N-tert-butyl-1-fluoroethanesulfonamide
CID 130208651
N-tert-butyl-3,3-difluorocyclobutane-1-sulfonamide
CID 130209119
N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide
CID 130654356
N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide
CID 146411779
2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide
CID 166982836
N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 168726652
N-(1-fluoro-2-methylpropan-2-yl)propane-2-sulfonamide
CID 168726710
N-(2,2-difluorocyclopropyl)propane-2-sulfonamide
CID 170176065
2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)ethanesulfonamide
CID 170416754

Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide (CID 106212637) is N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide is CCCS(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
The InChIKey is IDRRPYDOICGJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-2-5-14(12,13)11-6(3-4-6)7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide?
N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide has a molecular weight of 231.24 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]propane-1-sulfonamide is sourced from PubChem (CID 106212637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).