N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide

C6H10F3NO2S — CID 106212634

IUPACN-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO2S/c1-2-13(11,12)10-5(3-4-5)6(7,8)9/h10H,2-4H2,1H3
InChIKeyNBHHQBDZZSLLSH-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.02
Rot. Bonds3

About N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide

N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide (PubChem CID 106212634) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
PubChem CID106212634
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC NameN-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C6H10F3NO2S/c1-2-13(11,12)10-5(3-4-5)6(7,8)9/h10H,2-4H2,1H3
InChIKeyNBHHQBDZZSLLSH-UHFFFAOYSA-N
XLogP1.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.02
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]ethanesulfonamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide (CID 106212634) is N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide is CCS(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
The InChIKey is NBHHQBDZZSLLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c1-2-13(11,12)10-5(3-4-5)6(7,8)9/h10H,2-4H2,1H3.
What are the key properties of N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide?
N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide has a molecular weight of 217.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclopropyl]ethanesulfonamide is sourced from PubChem (CID 106212634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).