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

C13H19ClN2O4S — CID 67126679

IUPAC5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESCOC1CCC(COc2ncc(S(N)(=O)=O)cc2Cl)CC1
InChIInChI=1S/C13H19ClN2O4S/c1-19-10-4-2-9(3-5-10)8-20-13-12(14)6-11(7-16-13)21(15,17)18/h6-7,9-10H,2-5,8H2,1H3,(H2,15,17,18)
InChIKeySJXYLAJWCICXGQ-UHFFFAOYSA-N
MW334.83 g/mol
LogP1.97
Rot. Bonds5

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

5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide (PubChem CID 67126679) has the molecular formula C13H19ClN2O4S and a molecular weight of 334.83 g/mol. Its IUPAC name is 5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide
PubChem CID67126679
Molecular FormulaC13H19ClN2O4S
Molecular Weight334.83 g/mol
Exact Mass334.08
IUPAC Name5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide
SMILESCOC1CCC(COc2ncc(S(N)(=O)=O)cc2Cl)CC1
InChIInChI=1S/C13H19ClN2O4S/c1-19-10-4-2-9(3-5-10)8-20-13-12(14)6-11(7-16-13)21(15,17)18/h6-7,9-10H,2-5,8H2,1H3,(H2,15,17,18)
InChIKeySJXYLAJWCICXGQ-UHFFFAOYSA-N
XLogP1.97
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide (CID 67126679) is 5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide is COC1CCC(COc2ncc(S(N)(=O)=O)cc2Cl)CC1.
What is the InChIKey of 5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide?
The InChIKey is SJXYLAJWCICXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O4S/c1-19-10-4-2-9(3-5-10)8-20-13-12(14)6-11(7-16-13)21(15,17)18/h6-7,9-10H,2-5,8H2,1H3,(H2,15,17,18).
What are the key properties of 5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide?
5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide has a molecular weight of 334.83 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(4-methoxycyclohexyl)methoxy]pyridine-3-sulfonamide is sourced from PubChem (CID 67126679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).