(2,2-difluorocyclopropyl)methanesulfonamide

C4H7F2NO2S — CID 154255606

IUPAC(2,2-difluorocyclopropyl)methanesulfonamide
SMILESNS(=O)(=O)CC1CC1(F)F
InChIInChI=1S/C4H7F2NO2S/c5-4(6)1-3(4)2-10(7,8)9/h3H,1-2H2,(H2,7,8,9)
InChIKeyKXGOSJLBAINQAD-UHFFFAOYSA-N
MW171.17 g/mol
LogP-0.07
Rot. Bonds2

About (2,2-difluorocyclopropyl)methanesulfonamide

(2,2-difluorocyclopropyl)methanesulfonamide (PubChem CID 154255606) has the molecular formula C4H7F2NO2S and a molecular weight of 171.17 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)methanesulfonamide.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)methanesulfonamide
PubChem CID154255606
Molecular FormulaC4H7F2NO2S
Molecular Weight171.17 g/mol
Exact Mass171.02
IUPAC Name(2,2-difluorocyclopropyl)methanesulfonamide
SMILESNS(=O)(=O)CC1CC1(F)F
InChIInChI=1S/C4H7F2NO2S/c5-4(6)1-3(4)2-10(7,8)9/h3H,1-2H2,(H2,7,8,9)
InChIKeyKXGOSJLBAINQAD-UHFFFAOYSA-N
XLogP-0.07
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)methanesulfonamide?
The IUPAC name of (2,2-difluorocyclopropyl)methanesulfonamide (CID 154255606) is (2,2-difluorocyclopropyl)methanesulfonamide.
What is the SMILES notation for (2,2-difluorocyclopropyl)methanesulfonamide?
The canonical SMILES for (2,2-difluorocyclopropyl)methanesulfonamide is NS(=O)(=O)CC1CC1(F)F.
What is the InChIKey of (2,2-difluorocyclopropyl)methanesulfonamide?
The InChIKey is KXGOSJLBAINQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2S/c5-4(6)1-3(4)2-10(7,8)9/h3H,1-2H2,(H2,7,8,9).
What are the key properties of (2,2-difluorocyclopropyl)methanesulfonamide?
(2,2-difluorocyclopropyl)methanesulfonamide has a molecular weight of 171.17 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)methanesulfonamide is sourced from PubChem (CID 154255606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).