6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide

C14H19F3N2O4S — CID 67126704

IUPAC6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCOC1CCC(COc2ncc(S(N)(=O)=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O4S/c1-22-10-4-2-9(3-5-10)8-23-13-12(14(15,16)17)6-11(7-19-13)24(18,20)21/h6-7,9-10H,2-5,8H2,1H3,(H2,18,20,21)
InChIKeyDWDJKFSQDHLZPZ-UHFFFAOYSA-N
MW368.38 g/mol
LogP2.33
Rot. Bonds5

About 6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide

6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 67126704) has the molecular formula C14H19F3N2O4S and a molecular weight of 368.38 g/mol. Its IUPAC name is 6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID67126704
Molecular FormulaC14H19F3N2O4S
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Name6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCOC1CCC(COc2ncc(S(N)(=O)=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O4S/c1-22-10-4-2-9(3-5-10)8-23-13-12(14(15,16)17)6-11(7-19-13)24(18,20)21/h6-7,9-10H,2-5,8H2,1H3,(H2,18,20,21)
InChIKeyDWDJKFSQDHLZPZ-UHFFFAOYSA-N
XLogP2.33
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide (CID 67126704) is 6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide is COC1CCC(COc2ncc(S(N)(=O)=O)cc2C(F)(F)F)CC1.
What is the InChIKey of 6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is DWDJKFSQDHLZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O4S/c1-22-10-4-2-9(3-5-10)8-23-13-12(14(15,16)17)6-11(7-19-13)24(18,20)21/h6-7,9-10H,2-5,8H2,1H3,(H2,18,20,21).
What are the key properties of 6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 368.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxycyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 67126704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).