N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide

C5H9F2NO2S — CID 130654356

IUPACN-[1-(difluoromethyl)cyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(C(F)F)CC1
InChIInChI=1S/C5H9F2NO2S/c1-11(9,10)8-5(2-3-5)4(6)7/h4,8H,2-3H2,1H3
InChIKeyYBWJGJJZMKSTBW-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.33
Rot. Bonds3

About N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide

N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide (PubChem CID 130654356) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(difluoromethyl)cyclopropyl]methanesulfonamide
PubChem CID130654356
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC NameN-[1-(difluoromethyl)cyclopropyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(C(F)F)CC1
InChIInChI=1S/C5H9F2NO2S/c1-11(9,10)8-5(2-3-5)4(6)7/h4,8H,2-3H2,1H3
InChIKeyYBWJGJJZMKSTBW-UHFFFAOYSA-N
XLogP0.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-N-(2-methylbutan-2-yl)methanesulfonamide
CID 162621177
Tert-butylazanium;trifluoromethanesulfonate
CID 20277130
N-tert-butyl-2,2,2-trifluoroethanesulfonamide
CID 21027127
N-tert-butyl-1,1,1-trifluoromethanesulfonamide
CID 54432834
N-tert-butyl-1,1-difluoromethanesulfonamide
CID 64541188
2-Methylbutan-2-ylazanium;trifluoromethanesulfonate
CID 118876474
N-(1-fluoro-2-methylpropan-2-yl)methanesulfonamide
CID 131067359
N-tert-butyl-3,3,3-trifluoropropane-1-sulfonamide
CID 146411779
2,2,2-trifluoro-N-(1-methylcyclopropyl)ethanesulfonamide
CID 166982836
N-tert-butylsulfinamoyl-1,1,1-trifluoromethanesulfonamide
CID 167420852
N-[1-(difluoromethyl)cyclopropyl]propane-2-sulfonamide
CID 168726652
N-(Tert-butyl)-1-(trifluoromethyl)cyclopropane-1-sulfonamide
CID 73425286

Frequently Asked Questions

What is the IUPAC name of N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide?
The IUPAC name of N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide (CID 130654356) is N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide.
What is the SMILES notation for N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide?
The canonical SMILES for N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide is CS(=O)(=O)NC1(C(F)F)CC1.
What is the InChIKey of N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide?
The InChIKey is YBWJGJJZMKSTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c1-11(9,10)8-5(2-3-5)4(6)7/h4,8H,2-3H2,1H3.
What are the key properties of N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide?
N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide has a molecular weight of 185.19 g/mol, XLogP of 0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(difluoromethyl)cyclopropyl]methanesulfonamide is sourced from PubChem (CID 130654356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).