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

C12H17ClN2O4S — CID 64606386

IUPAC5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O4S/c1-15(7-9-3-2-4-19-8-9)20(17,18)10-5-11(13)12(16)14-6-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyLWECRVQJWGOHTB-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.08
Rot. Bonds4

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

5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606386) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606386
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O4S/c1-15(7-9-3-2-4-19-8-9)20(17,18)10-5-11(13)12(16)14-6-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,16)
InChIKeyLWECRVQJWGOHTB-UHFFFAOYSA-N
XLogP1.08
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.80
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606386) is 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is CN(CC1CCCOC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is LWECRVQJWGOHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-15(7-9-3-2-4-19-8-9)20(17,18)10-5-11(13)12(16)14-6-10/h5-6,9H,2-4,7-8H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 320.80 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).