N-cyclopropyl-1,1-difluoromethanesulfonamide

C4H7F2NO2S — CID 62734621

IUPACN-cyclopropyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CC1)C(F)F
InChIInChI=1S/C4H7F2NO2S/c5-4(6)10(8,9)7-3-1-2-3/h3-4,7H,1-2H2
InChIKeyOPPZJSDAOQKOOO-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.29
Rot. Bonds3

About N-cyclopropyl-1,1-difluoromethanesulfonamide

N-cyclopropyl-1,1-difluoromethanesulfonamide (PubChem CID 62734621) has the molecular formula C4H7F2NO2S and a molecular weight of 171.17 g/mol. Its IUPAC name is N-cyclopropyl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-cyclopropyl-1,1-difluoromethanesulfonamide
PubChem CID62734621
Molecular FormulaC4H7F2NO2S
Molecular Weight171.17 g/mol
Exact Mass171.02
IUPAC NameN-cyclopropyl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1CC1)C(F)F
InChIInChI=1S/C4H7F2NO2S/c5-4(6)10(8,9)7-3-1-2-3/h3-4,7H,1-2H2
InChIKeyOPPZJSDAOQKOOO-UHFFFAOYSA-N
XLogP0.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-cyclopropyl-1,1-difluoromethanesulfonamide (CID 62734621) is N-cyclopropyl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-cyclopropyl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-cyclopropyl-1,1-difluoromethanesulfonamide is O=S(=O)(NC1CC1)C(F)F.
What is the InChIKey of N-cyclopropyl-1,1-difluoromethanesulfonamide?
The InChIKey is OPPZJSDAOQKOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO2S/c5-4(6)10(8,9)7-3-1-2-3/h3-4,7H,1-2H2.
What are the key properties of N-cyclopropyl-1,1-difluoromethanesulfonamide?
N-cyclopropyl-1,1-difluoromethanesulfonamide has a molecular weight of 171.17 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 62734621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).