N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide

C9H14N2O3S — CID 115477930

IUPACN-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C9H14N2O3S/c1-8(4-6-12)11-15(13,14)9-3-2-5-10-7-9/h2-3,5,7-8,11-12H,4,6H2,1H3
InChIKeyGFJSIEIDDUQALQ-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.13
Rot. Bonds5

About N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide

N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide (PubChem CID 115477930) has the molecular formula C9H14N2O3S and a molecular weight of 230.29 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
PubChem CID115477930
Molecular FormulaC9H14N2O3S
Molecular Weight230.29 g/mol
Exact Mass230.07
IUPAC NameN-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide
SMILESCC(CCO)NS(=O)(=O)c1cccnc1
InChIInChI=1S/C9H14N2O3S/c1-8(4-6-12)11-15(13,14)9-3-2-5-10-7-9/h2-3,5,7-8,11-12H,4,6H2,1H3
InChIKeyGFJSIEIDDUQALQ-UHFFFAOYSA-N
XLogP0.13
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)butan-2-yl]pyridine-3-sulfonamide
CID 71997346
N-(1-chloropropan-2-yl)pyridine-3-sulfonamide
CID 65030805
N-(1-hydroxy-3-methylbutan-2-yl)pyridine-3-sulfonamide
CID 79256160
2-(pyridin-3-ylsulfonylamino)propanoic acid
CID 24691769
(2R)-2-(pyridin-3-ylsulfonylamino)pentanoic acid
CID 104935414
N-(4-hydroxybutan-2-yl)-6-nitropyridine-3-sulfonamide
CID 83186879
N-[(2R)-5-hydroxypentan-2-yl]benzenesulfonamide
CID 97051720
N-(1-amino-4-methylpentan-2-yl)pyridine-3-sulfonamide
CID 63767546
3-fluoro-N-(4-hydroxybutan-2-yl)pyridine-2-sulfonamide
CID 103300372
[4-[(2S)-2-(pyridin-3-ylsulfonylamino)propanoyl]oxyphenyl] (2S)-2-(pyridin-3-ylsulfonylamino)propanoate
CID 142590055
N-[(2S)-1-aminohexan-2-yl]pyridine-3-sulfonamide
CID 97225499
N-(2-methylpropoxy)pyridine-3-sulfonamide
CID 82715021

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide (CID 115477930) is N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide is CC(CCO)NS(=O)(=O)c1cccnc1.
What is the InChIKey of N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is GFJSIEIDDUQALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3S/c1-8(4-6-12)11-15(13,14)9-3-2-5-10-7-9/h2-3,5,7-8,11-12H,4,6H2,1H3.
What are the key properties of N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide?
N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 230.29 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 115477930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).