N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide

C5H9F2NO2S — CID 131206726

IUPACN-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC1)C(F)F
InChIInChI=1S/C5H9F2NO2S/c6-5(7)11(9,10)8-3-4-1-2-4/h4-5,8H,1-3H2
InChIKeyHPHYOKIISGBJDD-UHFFFAOYSA-N
MW185.19 g/mol
LogP0.54
Rot. Bonds4

About N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide

N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide (PubChem CID 131206726) has the molecular formula C5H9F2NO2S and a molecular weight of 185.19 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide
PubChem CID131206726
Molecular FormulaC5H9F2NO2S
Molecular Weight185.19 g/mol
Exact Mass185.03
IUPAC NameN-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC1)C(F)F
InChIInChI=1S/C5H9F2NO2S/c6-5(7)11(9,10)8-3-4-1-2-4/h4-5,8H,1-3H2
InChIKeyHPHYOKIISGBJDD-UHFFFAOYSA-N
XLogP0.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide (CID 131206726) is N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1CC1)C(F)F.
What is the InChIKey of N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide?
The InChIKey is HPHYOKIISGBJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2S/c6-5(7)11(9,10)8-3-4-1-2-4/h4-5,8H,1-3H2.
What are the key properties of N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide?
N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide has a molecular weight of 185.19 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 131206726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).