1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide

C11H10F3NO3S — CID 156759394

IUPAC1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)7-2-1-3-8(6-7)19(17,18)10(4-5-10)9(15)16/h1-3,6H,4-5H2,(H2,15,16)
InChIKeyXYWPDMTYYQWHMD-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.50
Rot. Bonds3

About 1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide

1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide (PubChem CID 156759394) has the molecular formula C11H10F3NO3S and a molecular weight of 293.27 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide
PubChem CID156759394
Molecular FormulaC11H10F3NO3S
Molecular Weight293.27 g/mol
Exact Mass293.03
IUPAC Name1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H10F3NO3S/c12-11(13,14)7-2-1-3-8(6-7)19(17,18)10(4-5-10)9(15)16/h1-3,6H,4-5H2,(H2,15,16)
InChIKeyXYWPDMTYYQWHMD-UHFFFAOYSA-N
XLogP1.50
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Benzenesulfonyl)cyclopropane-1-carboxamide
CID 786446
2-[3-(Trifluoromethyl)phenyl]sulfanylpropanamide
CID 4875532
4-[[3-(Trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 17562510
N,2,2-trifluoro-2-(4-methylphenyl)sulfonylacetamide
CID 20558182
3-(2-ethylsulfonylphenyl)-N,2,2-trifluoropropanamide
CID 22464517
N,2,2-trifluoro-3-(2-methylsulfonylphenyl)propanamide
CID 22464534
2-methyl-N-[3-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 47270009
N-[3-(trifluoromethyl)phenyl]sulfonylpentanamide
CID 47270010
4-[4-(Trifluoromethylsulfonyl)phenyl]butanamide
CID 66848550
4-[4-(Trifluoromethylsulfinyl)phenyl]butanamide
CID 66848963
2-Methyl-2-((3-(trifluoromethyl)phenyl) sulfonyl)propanamide
CID 69084127
2-(3-Fluoro-4-methylphenyl)sulfonyl-2-methylpropanamide
CID 90818403

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide (CID 156759394) is 1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide is NC(=O)C1(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide?
The InChIKey is XYWPDMTYYQWHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3S/c12-11(13,14)7-2-1-3-8(6-7)19(17,18)10(4-5-10)9(15)16/h1-3,6H,4-5H2,(H2,15,16).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide?
1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide has a molecular weight of 293.27 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]sulfonylcyclopropane-1-carboxamide is sourced from PubChem (CID 156759394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).