5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide

C10H15ClN2O4S — CID 64605730

IUPAC5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H15ClN2O4S/c1-7(3-4-17-2)13-18(15,16)8-5-9(11)10(14)12-6-8/h5-7,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyFIOPZLIHWFHOJC-UHFFFAOYSA-N
MW294.76 g/mol
LogP0.73
Rot. Bonds6

About 5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64605730) has the molecular formula C10H15ClN2O4S and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64605730
Molecular FormulaC10H15ClN2O4S
Molecular Weight294.76 g/mol
Exact Mass294.04
IUPAC Name5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCCC(C)NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H15ClN2O4S/c1-7(3-4-17-2)13-18(15,16)8-5-9(11)10(14)12-6-8/h5-7,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyFIOPZLIHWFHOJC-UHFFFAOYSA-N
XLogP0.73
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
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-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64605730) is 5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is COCCC(C)NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is FIOPZLIHWFHOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S/c1-7(3-4-17-2)13-18(15,16)8-5-9(11)10(14)12-6-8/h5-7,13H,3-4H2,1-2H3,(H,12,14).
What are the key properties of 5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 294.76 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methoxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64605730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).