N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide

C12H13F2NO3S — CID 47097296

IUPACN-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C12H13F2NO3S/c1-7-6-10(7)11(16)15-8-2-4-9(5-3-8)19(17,18)12(13)14/h2-5,7,10,12H,6H2,1H3,(H,15,16)
InChIKeyGAQRORDNWZEZFY-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.28
Rot. Bonds4

About N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide

N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 47097296) has the molecular formula C12H13F2NO3S and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide
PubChem CID47097296
Molecular FormulaC12H13F2NO3S
Molecular Weight289.30 g/mol
Exact Mass289.06
IUPAC NameN-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1
InChIInChI=1S/C12H13F2NO3S/c1-7-6-10(7)11(16)15-8-2-4-9(5-3-8)19(17,18)12(13)14/h2-5,7,10,12H,6H2,1H3,(H,15,16)
InChIKeyGAQRORDNWZEZFY-UHFFFAOYSA-N
XLogP2.28
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide (CID 47097296) is N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1.
What is the InChIKey of N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is GAQRORDNWZEZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3S/c1-7-6-10(7)11(16)15-8-2-4-9(5-3-8)19(17,18)12(13)14/h2-5,7,10,12H,6H2,1H3,(H,15,16).
What are the key properties of N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide?
N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethylsulfonyl)phenyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 47097296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).