2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide

C15H20N2O3S — CID 83015263

IUPAC2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
SMILESO=S(=O)(NN1CCCCC1)c1ccccc1C#CCCO
InChIInChI=1S/C15H20N2O3S/c18-13-7-4-9-14-8-2-3-10-15(14)21(19,20)16-17-11-5-1-6-12-17/h2-3,8,10,16,18H,1,5-7,11-13H2
InChIKeyPGEAQALOUOOOTR-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.10
Rot. Bonds4

About 2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide

2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide (PubChem CID 83015263) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
PubChem CID83015263
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
SMILESO=S(=O)(NN1CCCCC1)c1ccccc1C#CCCO
InChIInChI=1S/C15H20N2O3S/c18-13-7-4-9-14-8-2-3-10-15(14)21(19,20)16-17-11-5-1-6-12-17/h2-3,8,10,16,18H,1,5-7,11-13H2
InChIKeyPGEAQALOUOOOTR-UHFFFAOYSA-N
XLogP1.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83016802
2-(3-hydroxyprop-1-ynyl)-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83016568
2-(4-hydroxybut-1-ynyl)-N-propan-2-ylbenzenesulfonamide
CID 54926762
3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
CID 83015509
2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823701
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-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 60823050
N-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidine-1-carboxamide
CID 79156733
2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005826
5-(3-hydroxyprop-1-ynyl)-2-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83015385
4-(3-hydroxyprop-1-ynyl)-3-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83015386

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide (CID 83015263) is 2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide is O=S(=O)(NN1CCCCC1)c1ccccc1C#CCCO.
What is the InChIKey of 2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide?
The InChIKey is PGEAQALOUOOOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-13-7-4-9-14-8-2-3-10-15(14)21(19,20)16-17-11-5-1-6-12-17/h2-3,8,10,16,18H,1,5-7,11-13H2.
What are the key properties of 2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide?
2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide has a molecular weight of 308.40 g/mol, XLogP of 1.10, 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-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 83015263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).