N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide

C15H21F3N2O3S — CID 167862394

IUPACN-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCOC1CCC(C)(CNS(=O)(=O)c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O3S/c1-14(7-5-11(23-2)6-8-14)10-20-24(21,22)13-12(15(16,17)18)4-3-9-19-13/h3-4,9,11,20H,5-8,10H2,1-2H3
InChIKeySZCPHCJADTZWQM-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.97
Rot. Bonds5

About N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide

N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide (PubChem CID 167862394) has the molecular formula C15H21F3N2O3S and a molecular weight of 366.41 g/mol. Its IUPAC name is N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide.

Molecular Properties

Compound NameN-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide
PubChem CID167862394
Molecular FormulaC15H21F3N2O3S
Molecular Weight366.41 g/mol
Exact Mass366.12
IUPAC NameN-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide
SMILESCOC1CCC(C)(CNS(=O)(=O)c2ncccc2C(F)(F)F)CC1
InChIInChI=1S/C15H21F3N2O3S/c1-14(7-5-11(23-2)6-8-14)10-20-24(21,22)13-12(15(16,17)18)4-3-9-19-13/h3-4,9,11,20H,5-8,10H2,1-2H3
InChIKeySZCPHCJADTZWQM-UHFFFAOYSA-N
XLogP2.97
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide?
The IUPAC name of N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide (CID 167862394) is N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide.
What is the SMILES notation for N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide?
The canonical SMILES for N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide is COC1CCC(C)(CNS(=O)(=O)c2ncccc2C(F)(F)F)CC1.
What is the InChIKey of N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide?
The InChIKey is SZCPHCJADTZWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3S/c1-14(7-5-11(23-2)6-8-14)10-20-24(21,22)13-12(15(16,17)18)4-3-9-19-13/h3-4,9,11,20H,5-8,10H2,1-2H3.
What are the key properties of N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide?
N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide has a molecular weight of 366.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-methylcyclohexyl)methyl]-3-(trifluoromethyl)pyridine-2-sulfonamide is sourced from PubChem (CID 167862394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).