N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide

C17H17F3N2O2S — CID 177249229

IUPACN-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc2ccccc2c1C1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H17F3N2O2S/c1-21-25(23,24)15-10-22-14-5-3-2-4-13(14)16(15)11-6-8-12(9-7-11)17(18,19)20/h2-6,10,12,21H,7-9H2,1H3
InChIKeyPLTXZFLSDPJSTB-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.89
Rot. Bonds3

About N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide

N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide (PubChem CID 177249229) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide
PubChem CID177249229
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC NameN-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide
SMILESCNS(=O)(=O)c1cnc2ccccc2c1C1=CCC(C(F)(F)F)CC1
InChIInChI=1S/C17H17F3N2O2S/c1-21-25(23,24)15-10-22-14-5-3-2-4-13(14)16(15)11-6-8-12(9-7-11)17(18,19)20/h2-6,10,12,21H,7-9H2,1H3
InChIKeyPLTXZFLSDPJSTB-UHFFFAOYSA-N
XLogP3.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide?
The IUPAC name of N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide (CID 177249229) is N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide.
What is the SMILES notation for N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide?
The canonical SMILES for N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide is CNS(=O)(=O)c1cnc2ccccc2c1C1=CCC(C(F)(F)F)CC1.
What is the InChIKey of N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide?
The InChIKey is PLTXZFLSDPJSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c1-21-25(23,24)15-10-22-14-5-3-2-4-13(14)16(15)11-6-8-12(9-7-11)17(18,19)20/h2-6,10,12,21H,7-9H2,1H3.
What are the key properties of N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide?
N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide has a molecular weight of 370.40 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(trifluoromethyl)cyclohexen-1-yl]quinoline-3-sulfonamide is sourced from PubChem (CID 177249229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).