N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide

C8H11F2NO3S — CID 67259780

IUPACN-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1CC1C(F)F
InChIInChI=1S/C8H11F2NO3S/c9-7(10)5-3-6(5)8(12)11-15(13,14)4-1-2-4/h4-7H,1-3H2,(H,11,12)
InChIKeyIIOBNBUGFJDWCG-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.50
Rot. Bonds4

About N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide

N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide (PubChem CID 67259780) has the molecular formula C8H11F2NO3S and a molecular weight of 239.24 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide
PubChem CID67259780
Molecular FormulaC8H11F2NO3S
Molecular Weight239.24 g/mol
Exact Mass239.04
IUPAC NameN-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(NS(=O)(=O)C1CC1)C1CC1C(F)F
InChIInChI=1S/C8H11F2NO3S/c9-7(10)5-3-6(5)8(12)11-15(13,14)4-1-2-4/h4-7H,1-3H2,(H,11,12)
InChIKeyIIOBNBUGFJDWCG-UHFFFAOYSA-N
XLogP0.50
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide (CID 67259780) is N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide is O=C(NS(=O)(=O)C1CC1)C1CC1C(F)F.
What is the InChIKey of N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is IIOBNBUGFJDWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO3S/c9-7(10)5-3-6(5)8(12)11-15(13,14)4-1-2-4/h4-7H,1-3H2,(H,11,12).
What are the key properties of N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide?
N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-2-(difluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 67259780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).