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

C9H13ClN2O4S — CID 83186740

IUPAC5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C9H13ClN2O4S/c1-6(2-3-13)12-17(15,16)7-4-8(10)9(14)11-5-7/h4-6,12-13H,2-3H2,1H3,(H,11,14)
InChIKeyJSBQJAUGIHOIGZ-UHFFFAOYSA-N
MW280.73 g/mol
LogP0.08
Rot. Bonds5

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

5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 83186740) has the molecular formula C9H13ClN2O4S and a molecular weight of 280.73 g/mol. Its IUPAC name is 5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID83186740
Molecular FormulaC9H13ClN2O4S
Molecular Weight280.73 g/mol
Exact Mass280.03
IUPAC Name5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C9H13ClN2O4S/c1-6(2-3-13)12-17(15,16)7-4-8(10)9(14)11-5-7/h4-6,12-13H,2-3H2,1H3,(H,11,14)
InChIKeyJSBQJAUGIHOIGZ-UHFFFAOYSA-N
XLogP0.08
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-oxo-N-pent-4-yn-2-yl-1H-pyridine-3-sulfonamide
CID 113478107
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]propanoic acid
CID 64608093
5-chloro-N-(1-methylsulfinylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113486689
5-chloro-N-(1-cyclopropylpropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64607914
5-chloro-N-(1-ethoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608286
methyl (2S)-2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-3-methylbutanoate
CID 64607131
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
CID 64606557
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-N-methylacetamide
CID 64607870
N-[2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]ethyl]-2-methylpropanamide
CID 64608272
5-chloro-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 115361937
5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102700034

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide (CID 83186740) is 5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is CC(CCO)NS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is JSBQJAUGIHOIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O4S/c1-6(2-3-13)12-17(15,16)7-4-8(10)9(14)11-5-7/h4-6,12-13H,2-3H2,1H3,(H,11,14).
What are the key properties of 5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 280.73 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-hydroxybutan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 83186740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).