N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide

C13H16F3NO3S — CID 112812725

IUPACN-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3S/c1-17(10-5-2-3-6-10)21(18,19)12-8-4-7-11(9-12)20-13(14,15)16/h4,7-10H,2-3,5-6H2,1H3
InChIKeyKUEHICIRNAGOMI-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.15
Rot. Bonds4

About N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide

N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide (PubChem CID 112812725) has the molecular formula C13H16F3NO3S and a molecular weight of 323.34 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
PubChem CID112812725
Molecular FormulaC13H16F3NO3S
Molecular Weight323.34 g/mol
Exact Mass323.08
IUPAC NameN-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
SMILESCN(C1CCCC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H16F3NO3S/c1-17(10-5-2-3-6-10)21(18,19)12-8-4-7-11(9-12)20-13(14,15)16/h4,7-10H,2-3,5-6H2,1H3
InChIKeyKUEHICIRNAGOMI-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-3-fluoro-N-methylbenzenesulfonamide
CID 78786922
3-[cyclopentyl(methyl)sulfamoyl]benzoic acid
CID 43213252
3-cyano-N-cyclopentyl-N-methylbenzenesulfonamide
CID 18121874
3-(1-aminoethyl)-N-cyclopentyl-N-methylbenzenesulfonamide
CID 43267394
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715
N-(6-methoxy-2-pyridinyl)-N-methyl-3-(trifluoromethoxy)benzenesulfonamide
CID 39982889
N-cyclopentyl-N-methylpyridine-3-sulfonamide
CID 141273254
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210
2-[3-(trifluoromethoxy)phenyl]sulfonyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 120584000
N-methyl-1-[(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanamine
CID 124686558
(3S)-1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-ol
CID 107225119

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide (CID 112812725) is N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide is CN(C1CCCC1)S(=O)(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is KUEHICIRNAGOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3S/c1-17(10-5-2-3-6-10)21(18,19)12-8-4-7-11(9-12)20-13(14,15)16/h4,7-10H,2-3,5-6H2,1H3.
What are the key properties of N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide?
N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 323.34 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-3-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 112812725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).