5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide

C11H15ClN2O4S — CID 64606577

IUPAC5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCC2CCOCC2)cc1Cl
InChIInChI=1S/C11H15ClN2O4S/c12-10-5-9(7-13-11(10)15)19(16,17)14-6-8-1-3-18-4-2-8/h5,7-8,14H,1-4,6H2,(H,13,15)
InChIKeySIUMSVUUCPBHAO-UHFFFAOYSA-N
MW306.77 g/mol
LogP0.73
Rot. Bonds4

About 5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606577) has the molecular formula C11H15ClN2O4S and a molecular weight of 306.77 g/mol. Its IUPAC name is 5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606577
Molecular FormulaC11H15ClN2O4S
Molecular Weight306.77 g/mol
Exact Mass306.04
IUPAC Name5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)NCC2CCOCC2)cc1Cl
InChIInChI=1S/C11H15ClN2O4S/c12-10-5-9(7-13-11(10)15)19(16,17)14-6-8-1-3-18-4-2-8/h5,7-8,14H,1-4,6H2,(H,13,15)
InChIKeySIUMSVUUCPBHAO-UHFFFAOYSA-N
XLogP0.73
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606577) is 5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is O=c1[nH]cc(S(=O)(=O)NCC2CCOCC2)cc1Cl.
What is the InChIKey of 5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is SIUMSVUUCPBHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O4S/c12-10-5-9(7-13-11(10)15)19(16,17)14-6-8-1-3-18-4-2-8/h5,7-8,14H,1-4,6H2,(H,13,15).
What are the key properties of 5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 306.77 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).