5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide

C13H18ClFN2O4S — CID 67126730

IUPAC5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESCC1(O)CCC(F)(COc2ncc(S(N)(=O)=O)cc2Cl)CC1
InChIInChI=1S/C13H18ClFN2O4S/c1-12(18)2-4-13(15,5-3-12)8-21-11-10(14)6-9(7-17-11)22(16,19)20/h6-7,18H,2-5,8H2,1H3,(H2,16,19,20)
InChIKeyOYKRAWKARRTJRK-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.79
Rot. Bonds4

About 5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide

5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide (PubChem CID 67126730) has the molecular formula C13H18ClFN2O4S and a molecular weight of 352.82 g/mol. Its IUPAC name is 5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide
PubChem CID67126730
Molecular FormulaC13H18ClFN2O4S
Molecular Weight352.82 g/mol
Exact Mass352.07
IUPAC Name5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESCC1(O)CCC(F)(COc2ncc(S(N)(=O)=O)cc2Cl)CC1
InChIInChI=1S/C13H18ClFN2O4S/c1-12(18)2-4-13(15,5-3-12)8-21-11-10(14)6-9(7-17-11)22(16,19)20/h6-7,18H,2-5,8H2,1H3,(H2,16,19,20)
InChIKeyOYKRAWKARRTJRK-UHFFFAOYSA-N
XLogP1.79
TPSA102.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 3698349
CID 3698349
CID 67126592
CID 67126592
CID 67126600
CID 67126600
CID 67126626
CID 67126626
CID 67126630
CID 67126630
CID 67126688
CID 67126688
CID 67126704
CID 67126704
CID 67126752
CID 67126752
CID 67126759
CID 67126759
CID 67126848
CID 67126848
CID 67126917
CID 67126917
CID 67170487
CID 67170487

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide (CID 67126730) is 5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide is CC1(O)CCC(F)(COc2ncc(S(N)(=O)=O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide?
The InChIKey is OYKRAWKARRTJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2O4S/c1-12(18)2-4-13(15,5-3-12)8-21-11-10(14)6-9(7-17-11)22(16,19)20/h6-7,18H,2-5,8H2,1H3,(H2,16,19,20).
What are the key properties of 5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide?
5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide has a molecular weight of 352.82 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(1-fluoro-4-hydroxy-4-methylcyclohexyl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).