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

C12H17ClN2O4S — CID 64606387

IUPAC5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O4S/c1-15(8-9-2-4-19-5-3-9)20(17,18)10-6-11(13)12(16)14-7-10/h6-7,9H,2-5,8H2,1H3,(H,14,16)
InChIKeyBUCAYYUNZBBBMT-UHFFFAOYSA-N
MW320.80 g/mol
LogP1.08
Rot. Bonds4

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

5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606387) has the molecular formula C12H17ClN2O4S and a molecular weight of 320.80 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606387
Molecular FormulaC12H17ClN2O4S
Molecular Weight320.80 g/mol
Exact Mass320.06
IUPAC Name5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCN(CC1CCOCC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C12H17ClN2O4S/c1-15(8-9-2-4-19-5-3-9)20(17,18)10-6-11(13)12(16)14-7-10/h6-7,9H,2-5,8H2,1H3,(H,14,16)
InChIKeyBUCAYYUNZBBBMT-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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Related Compounds

N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55226076
N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55226077
5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 63978843
5-chloro-N-[2-(3-methylbutoxy)ethyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64606185
5-chloro-N-methyl-N-(oxan-3-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606386
5-chloro-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606577
5-chloro-N-ethyl-N-(2-ethylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606732
3-chloro-5-[4-[(dimethylamino)methyl]piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 64606742
5-chloro-N-ethyl-6-oxo-N-(oxolan-3-ylmethyl)-1H-pyridine-3-sulfonamide
CID 64607123
5-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 64607148
5-chloro-N-methyl-N-(oxan-4-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607305
3-chloro-5-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-1H-pyridin-2-one
CID 64607725

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606387) is 5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is CN(CC1CCOCC1)S(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is BUCAYYUNZBBBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O4S/c1-15(8-9-2-4-19-5-3-9)20(17,18)10-6-11(13)12(16)14-7-10/h6-7,9H,2-5,8H2,1H3,(H,14,16).
What are the key properties of 5-chloro-N-methyl-N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-methyl-N-(oxan-4-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-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).