2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide

C11H15N3O4S — CID 106546616

IUPAC2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H15N3O4S/c1-18-8-9(4-6-15)14-19(16,17)11-3-2-5-13-10(11)7-12/h2-3,5,9,14-15H,4,6,8H2,1H3
InChIKeyLYJJGJMJIDZWAS-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.37
Rot. Bonds7

About 2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide

2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide (PubChem CID 106546616) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide
PubChem CID106546616
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1cccnc1C#N
InChIInChI=1S/C11H15N3O4S/c1-18-8-9(4-6-15)14-19(16,17)11-3-2-5-13-10(11)7-12/h2-3,5,9,14-15H,4,6,8H2,1H3
InChIKeyLYJJGJMJIDZWAS-UHFFFAOYSA-N
XLogP-0.37
TPSA112.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(oxan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453647
N-(oxolan-3-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84600733
1,5-anhydro-2,3-dideoxy-4-O-methyl-3-[(pyridin-3-ylsulfonyl)amino]-L-threo-pentitol
CID 131940059
5-{[4-(3-Methoxypropoxy)piperidin-1-yl]sulfonyl}pyridine-2-carbonitrile
CID 132970004
N-[(1S)-1-[1-(hydroxymethyl)cyclobutyl]-2-methylpropyl]-6-methylpyridine-3-sulfonamide
CID 164637562
5-fluoro-N-(1-hydroxybutan-2-yl)pyridine-3-sulfonamide
CID 61784800
5-fluoro-N-(1-hydroxypropan-2-yl)pyridine-3-sulfonamide
CID 61784974
5-fluoro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-3-sulfonamide
CID 65807351
N-(4-methoxybutan-2-yl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453643
N-(3-hydroxy-4-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75453657
N-(2-hydroxy-3-methylpentyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476540
N-(3-hydroxy-2,2-dimethylpropyl)-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 75476553

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide (CID 106546616) is 2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide is COCC(CCO)NS(=O)(=O)c1cccnc1C#N.
What is the InChIKey of 2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is LYJJGJMJIDZWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-18-8-9(4-6-15)14-19(16,17)11-3-2-5-13-10(11)7-12/h2-3,5,9,14-15H,4,6,8H2,1H3.
What are the key properties of 2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide?
2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 285.32 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4-hydroxy-1-methoxybutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 106546616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).