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

C14H19F3N2O4S — CID 67226539

IUPAC6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC1(O)CCC(COc2ncc(S(N)(=O)=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O4S/c1-13(20)4-2-9(3-5-13)8-23-12-11(14(15,16)17)6-10(7-19-12)24(18,21)22/h6-7,9,20H,2-5,8H2,1H3,(H2,18,21,22)
InChIKeyJDRPERUVRAUVRI-UHFFFAOYSA-N
MW368.38 g/mol
LogP2.07
Rot. Bonds4

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

6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide (PubChem CID 67226539) has the molecular formula C14H19F3N2O4S and a molecular weight of 368.38 g/mol. Its IUPAC name is 6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide
PubChem CID67226539
Molecular FormulaC14H19F3N2O4S
Molecular Weight368.38 g/mol
Exact Mass368.10
IUPAC Name6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide
SMILESCC1(O)CCC(COc2ncc(S(N)(=O)=O)cc2C(F)(F)F)CC1
InChIInChI=1S/C14H19F3N2O4S/c1-13(20)4-2-9(3-5-13)8-23-12-11(14(15,16)17)6-10(7-19-12)24(18,21)22/h6-7,9,20H,2-5,8H2,1H3,(H2,18,21,22)
InChIKeyJDRPERUVRAUVRI-UHFFFAOYSA-N
XLogP2.07
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.38
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
The IUPAC name of 6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide (CID 67226539) is 6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide is CC1(O)CCC(COc2ncc(S(N)(=O)=O)cc2C(F)(F)F)CC1.
What is the InChIKey of 6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
The InChIKey is JDRPERUVRAUVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O4S/c1-13(20)4-2-9(3-5-13)8-23-12-11(14(15,16)17)6-10(7-19-12)24(18,21)22/h6-7,9,20H,2-5,8H2,1H3,(H2,18,21,22).
What are the key properties of 6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide?
6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide has a molecular weight of 368.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-4-methylcyclohexyl)methoxy]-5-(trifluoromethyl)pyridine-3-sulfonamide is sourced from PubChem (CID 67226539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).