N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide

C12H14F3NO2S — CID 71997220

IUPACN-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C12H14F3NO2S/c1-19(17,18)16-11(6-3-7-11)9-4-2-5-10(8-9)12(13,14)15/h2,4-5,8,16H,3,6-7H2,1H3
InChIKeyYKOVUAXPLGUCCH-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.63
Rot. Bonds3

About N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide

N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide (PubChem CID 71997220) has the molecular formula C12H14F3NO2S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide
PubChem CID71997220
Molecular FormulaC12H14F3NO2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC NameN-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide
SMILESCS(=O)(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C12H14F3NO2S/c1-19(17,18)16-11(6-3-7-11)9-4-2-5-10(8-9)12(13,14)15/h2,4-5,8,16H,3,6-7H2,1H3
InChIKeyYKOVUAXPLGUCCH-UHFFFAOYSA-N
XLogP2.63
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide (CID 71997220) is N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide is CS(=O)(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide?
The InChIKey is YKOVUAXPLGUCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2S/c1-19(17,18)16-11(6-3-7-11)9-4-2-5-10(8-9)12(13,14)15/h2,4-5,8,16H,3,6-7H2,1H3.
What are the key properties of N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide?
N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide has a molecular weight of 293.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide is sourced from PubChem (CID 71997220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).