2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide

C9H13ClN2O3S — CID 106841570

IUPAC2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
SMILESO=S(=O)(NCCCCO)c1ccnc(Cl)c1
InChIInChI=1S/C9H13ClN2O3S/c10-9-7-8(3-5-11-9)16(14,15)12-4-1-2-6-13/h3,5,7,12-13H,1-2,4,6H2
InChIKeyKIYDIOQAVYWECD-UHFFFAOYSA-N
MW264.73 g/mol
LogP0.79
Rot. Bonds6

About 2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide

2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide (PubChem CID 106841570) has the molecular formula C9H13ClN2O3S and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
PubChem CID106841570
Molecular FormulaC9H13ClN2O3S
Molecular Weight264.73 g/mol
Exact Mass264.03
IUPAC Name2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide
SMILESO=S(=O)(NCCCCO)c1ccnc(Cl)c1
InChIInChI=1S/C9H13ClN2O3S/c10-9-7-8(3-5-11-9)16(14,15)12-4-1-2-6-13/h3,5,7,12-13H,1-2,4,6H2
InChIKeyKIYDIOQAVYWECD-UHFFFAOYSA-N
XLogP0.79
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloro-4-pyridinyl)sulfonylamino]propanoic acid
CID 61249244
6-chloro-N-(5-hydroxypentyl)pyridine-3-sulfonamide
CID 107317222
3-chloro-N-(5-hydroxypentyl)benzenesulfonamide
CID 69467627
2-chloro-N-[3-(2-methylpropoxy)propyl]pyridine-4-sulfonamide
CID 61247710
2-chloro-N-[2-(dimethylsulfamoyl)ethyl]pyridine-4-sulfonamide
CID 106336285
2-[(2-chloro-4-pyridinyl)sulfonylamino]-N-propylacetamide
CID 54895536
2-chloro-N-[2-(3,5-difluorophenyl)ethyl]pyridine-4-sulfonamide
CID 62615784
2-chloro-N-(cyanomethyl)pyridine-4-sulfonamide
CID 61249256
2-chloro-N-(2-cyclohexylethyl)pyridine-4-sulfonamide
CID 54896019
2-chloro-N-[2-(5-chlorothiophen-2-yl)ethyl]pyridine-4-sulfonamide
CID 114139001
2-chloro-N-[2-[ethyl(propyl)amino]ethyl]pyridine-4-sulfonamide
CID 114132607
2-chloro-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyridine-4-sulfonamide
CID 113405985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide?
The IUPAC name of 2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide (CID 106841570) is 2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide?
The canonical SMILES for 2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide is O=S(=O)(NCCCCO)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide?
The InChIKey is KIYDIOQAVYWECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O3S/c10-9-7-8(3-5-11-9)16(14,15)12-4-1-2-6-13/h3,5,7,12-13H,1-2,4,6H2.
What are the key properties of 2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide?
2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide has a molecular weight of 264.73 g/mol, XLogP of 0.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxybutyl)pyridine-4-sulfonamide is sourced from PubChem (CID 106841570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).