3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide

C15H20N2O3S — CID 83015509

IUPAC3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
SMILESO=S(=O)(NN1CCCCC1)c1cccc(C#CCCO)c1
InChIInChI=1S/C15H20N2O3S/c18-12-5-2-7-14-8-6-9-15(13-14)21(19,20)16-17-10-3-1-4-11-17/h6,8-9,13,16,18H,1,3-5,10-12H2
InChIKeyYLQPMFASVVRNAV-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.10
Rot. Bonds4

About 3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide

3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide (PubChem CID 83015509) has the molecular formula C15H20N2O3S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
PubChem CID83015509
Molecular FormulaC15H20N2O3S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
SMILESO=S(=O)(NN1CCCCC1)c1cccc(C#CCCO)c1
InChIInChI=1S/C15H20N2O3S/c18-12-5-2-7-14-8-6-9-15(13-14)21(19,20)16-17-10-3-1-4-11-17/h6,8-9,13,16,18H,1,3-5,10-12H2
InChIKeyYLQPMFASVVRNAV-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'}

Analyze 3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide 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

3-(3-hydroxyprop-1-ynyl)-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83015854
3-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 60824271
2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
CID 83015263
3-hydroxy-N-piperidin-1-ylbenzenesulfonamide
CID 83019095
3-(4-hydroxybut-1-ynyl)-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114913905
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700
N-[2-(dimethylamino)ethyl]-3-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60822722
3-(4-hydroxybut-1-ynyl)-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114913929
N-[3-(dimethylamino)propyl]-3-(4-hydroxybut-1-ynyl)benzenesulfonamide
CID 60823071
3-(3-pyrrolidin-1-ylsulfonylphenyl)prop-2-yn-1-ol
CID 60824409
4-(3-hydroxyprop-1-ynyl)-3-methyl-N-piperidin-1-ylbenzenesulfonamide
CID 83015386
N-[3-(4-hydroxybut-1-ynyl)phenyl]azepane-1-carboxamide
CID 79157672

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide (CID 83015509) is 3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide is O=S(=O)(NN1CCCCC1)c1cccc(C#CCCO)c1.
What is the InChIKey of 3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide?
The InChIKey is YLQPMFASVVRNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3S/c18-12-5-2-7-14-8-6-9-15(13-14)21(19,20)16-17-10-3-1-4-11-17/h6,8-9,13,16,18H,1,3-5,10-12H2.
What are the key properties of 3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide?
3-(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 3-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 83015509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).