4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide

C11H17ClN2O3S — CID 104940865

IUPAC4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-10(2,11(3,4)15)14-18(16,17)9-7-13-6-5-8(9)12/h5-7,14-15H,1-4H3
InChIKeyZBFDKQQTKFSDRK-UHFFFAOYSA-N
MW292.79 g/mol
LogP1.56
Rot. Bonds4

About 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide

4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide (PubChem CID 104940865) has the molecular formula C11H17ClN2O3S and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
PubChem CID104940865
Molecular FormulaC11H17ClN2O3S
Molecular Weight292.79 g/mol
Exact Mass292.06
IUPAC Name4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide
SMILESCC(C)(O)C(C)(C)NS(=O)(=O)c1cnccc1Cl
InChIInChI=1S/C11H17ClN2O3S/c1-10(2,11(3,4)15)14-18(16,17)9-7-13-6-5-8(9)12/h5-7,14-15H,1-4H3
InChIKeyZBFDKQQTKFSDRK-UHFFFAOYSA-N
XLogP1.56
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyrimidine-5-sulfonamide
CID 114155588
4-chloro-N-[2-ethyl-2-(hydroxymethyl)butyl]pyridine-3-sulfonamide
CID 104940855
4-chloro-N-[(2S)-1-hydroxybutan-2-yl]pyridine-3-sulfonamide
CID 105061056
4-chloro-N-(1-methylsulfonylpropan-2-yl)pyridine-3-sulfonamide
CID 64629810
4-chloro-N-octylpyridine-3-sulfonamide
CID 113337153
3-bromo-4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106546665
N-tert-butyl-4-[hydroxy(diphenyl)methyl]pyridine-3-sulfonamide
CID 15149906
4-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-3-sulfonamide
CID 106336289
3-amino-4-bromo-5-chloro-2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106181239
4-chloro-N-cyclohexylpyridine-3-sulfonamide
CID 10492602
4-amino-2,6-dichloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)benzenesulfonamide
CID 106181184
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 103931269

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide (CID 104940865) is 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide is CC(C)(O)C(C)(C)NS(=O)(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
The InChIKey is ZBFDKQQTKFSDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O3S/c1-10(2,11(3,4)15)14-18(16,17)9-7-13-6-5-8(9)12/h5-7,14-15H,1-4H3.
What are the key properties of 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide?
4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide has a molecular weight of 292.79 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 104940865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).