5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

C10H15ClN2O4S — CID 64606568

IUPAC5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H15ClN2O4S/c1-7(6-17-2)4-13-18(15,16)8-3-9(11)10(14)12-5-8/h3,5,7,13H,4,6H2,1-2H3,(H,12,14)
InChIKeyYEVBKQJYWMCBHE-UHFFFAOYSA-N
MW294.76 g/mol
LogP0.59
Rot. Bonds6

About 5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide

5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (PubChem CID 64606568) has the molecular formula C10H15ClN2O4S and a molecular weight of 294.76 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
PubChem CID64606568
Molecular FormulaC10H15ClN2O4S
Molecular Weight294.76 g/mol
Exact Mass294.04
IUPAC Name5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
SMILESCOCC(C)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C10H15ClN2O4S/c1-7(6-17-2)4-13-18(15,16)8-3-9(11)10(14)12-5-8/h3,5,7,13H,4,6H2,1-2H3,(H,12,14)
InChIKeyYEVBKQJYWMCBHE-UHFFFAOYSA-N
XLogP0.59
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 ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-(2-hydroxy-3-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608871
5-chloro-N-(2-methoxypropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 102700034
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588
5-chloro-N-(2-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 113450761
5-[(cyclopropylamino)methyl]-N-(3-methoxy-2-methylpropyl)-1H-pyrrole-3-sulfonamide
CID 106050867
5-chloro-6-hydrazinyl-N-(3-methoxy-2-methylpropyl)pyridine-3-sulfonamide
CID 64608765
5-chloro-N-(1-ethoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64608286
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
methyl (2S)-2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]-3-methylbutanoate
CID 64607131
5-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 64606757
2-[(5-chloro-6-oxo-1H-pyridin-3-yl)sulfonylamino]acetic acid
CID 64606557

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide (CID 64606568) is 5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is COCC(C)CNS(=O)(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
The InChIKey is YEVBKQJYWMCBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O4S/c1-7(6-17-2)4-13-18(15,16)8-3-9(11)10(14)12-5-8/h3,5,7,13H,4,6H2,1-2H3,(H,12,14).
What are the key properties of 5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide?
5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide has a molecular weight of 294.76 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-methoxy-2-methylpropyl)-6-oxo-1H-pyridine-3-sulfonamide is sourced from PubChem (CID 64606568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).