N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

C14H16F3NO3S — CID 146154637

IUPACN-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C14H16F3NO3S/c1-22(20,21)18-12(19)13(7-2-3-8-13)10-5-4-6-11(9-10)14(15,16)17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyRXGUKXPBFYGAGC-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.59
Rot. Bonds3

About N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 146154637) has the molecular formula C14H16F3NO3S and a molecular weight of 335.35 g/mol. Its IUPAC name is N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID146154637
Molecular FormulaC14H16F3NO3S
Molecular Weight335.35 g/mol
Exact Mass335.08
IUPAC NameN-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C14H16F3NO3S/c1-22(20,21)18-12(19)13(7-2-3-8-13)10-5-4-6-11(9-10)14(15,16)17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19)
InChIKeyRXGUKXPBFYGAGC-UHFFFAOYSA-N
XLogP2.59
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
CID 119177258
(2S)-2-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]butanoic acid
CID 166239737
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methanesulfonamide
CID 71997220
[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
1-methylsulfonyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 86876143
N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120554712
N-methyl-3-[[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]methyl]benzamide
CID 33205383
N-(furan-3-ylmethyl)-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 51123307
(4-methylidenepiperidin-1-yl)-[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methanone
CID 56575500
N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 55811816
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 99811328

Frequently Asked Questions

What is the IUPAC name of N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (CID 146154637) is N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is CS(=O)(=O)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1.
What is the InChIKey of N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is RXGUKXPBFYGAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO3S/c1-22(20,21)18-12(19)13(7-2-3-8-13)10-5-4-6-11(9-10)14(15,16)17/h4-6,9H,2-3,7-8H2,1H3,(H,18,19).
What are the key properties of N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 335.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 146154637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).