2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide

C15H19NO4S — CID 60823701

IUPAC2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1ccccc1C#CCCO
InChIInChI=1S/C15H19NO4S/c17-10-4-3-6-13-5-1-2-7-15(13)21(18,19)16-14-8-11-20-12-9-14/h1-2,5,7,14,16-17H,4,8-12H2
InChIKeyMGWYSLQISFLRQB-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.88
Rot. Bonds4

About 2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide

2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide (PubChem CID 60823701) has the molecular formula C15H19NO4S and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
PubChem CID60823701
Molecular FormulaC15H19NO4S
Molecular Weight309.39 g/mol
Exact Mass309.10
IUPAC Name2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
SMILESO=S(=O)(NC1CCOCC1)c1ccccc1C#CCCO
InChIInChI=1S/C15H19NO4S/c17-10-4-3-6-13-5-1-2-7-15(13)21(18,19)16-14-8-11-20-12-9-14/h1-2,5,7,14,16-17H,4,8-12H2
InChIKeyMGWYSLQISFLRQB-UHFFFAOYSA-N
XLogP0.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 54926202
2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83016802
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700
2-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzenesulfonamide
CID 54926762
2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride
CID 164863531
2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726925
2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
CID 83015263
2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide
CID 60824893
2-(4-hydroxybut-1-ynyl)-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 60824488
2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
N-cyclopropyl-4-(4-hydroxybut-1-ynyl)-3-methylbenzenesulfonamide
CID 54926200
2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 60823050

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide?
The IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide (CID 60823701) is 2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide?
The canonical SMILES for 2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide is O=S(=O)(NC1CCOCC1)c1ccccc1C#CCCO.
What is the InChIKey of 2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide?
The InChIKey is MGWYSLQISFLRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4S/c17-10-4-3-6-13-5-1-2-7-15(13)21(18,19)16-14-8-11-20-12-9-14/h1-2,5,7,14,16-17H,4,8-12H2.
What are the key properties of 2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide?
2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide is sourced from PubChem (CID 60823701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).