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

C15H14N2O3S — CID 60824893

IUPAC2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccccc1C#CCCO
InChIInChI=1S/C15H14N2O3S/c18-12-6-4-8-13-7-1-2-9-14(13)21(19,20)17-15-10-3-5-11-16-15/h1-3,5,7,9-11,18H,6,12H2,(H,16,17)
InChIKeyXZQIXLDNLABVMR-UHFFFAOYSA-N
MW302.36 g/mol
LogP1.62
Rot. Bonds4

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

2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 60824893) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID60824893
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccccn1)c1ccccc1C#CCCO
InChIInChI=1S/C15H14N2O3S/c18-12-6-4-8-13-7-1-2-9-14(13)21(19,20)17-15-10-3-5-11-16-15/h1-3,5,7,9-11,18H,6,12H2,(H,16,17)
InChIKeyXZQIXLDNLABVMR-UHFFFAOYSA-N
XLogP1.62
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 51.62
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-propan-2-ylbenzenesulfonamide
CID 54926762
2-(4-hydroxybut-1-ynyl)-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 60824488
2-(4-hydroxybut-1-ynyl)-N-piperidin-1-ylbenzenesulfonamide
CID 83015263
2-(4-hydroxybut-1-ynyl)-N-(1-methoxypropan-2-yl)benzenesulfonamide
CID 60823050
2-(4-hydroxybut-1-ynyl)-N-morpholin-4-ylbenzenesulfonamide
CID 83016802
2-(3-aminoprop-1-ynyl)-N-(5-fluoro-2-pyridinyl)benzenesulfonamide
CID 65481870
2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823701
2-chloro-N-pyridin-2-ylpyridine-3-sulfonamide
CID 43415000
3-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylpyridine-4-carboxamide
CID 66483603
N-[2-(4-hydroxybut-1-ynyl)phenyl]pyridine-2-carboxamide
CID 60804032
2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83023747
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817200

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide (CID 60824893) is 2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide is O=S(=O)(Nc1ccccn1)c1ccccc1C#CCCO.
What is the InChIKey of 2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is XZQIXLDNLABVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c18-12-6-4-8-13-7-1-2-9-14(13)21(19,20)17-15-10-3-5-11-16-15/h1-3,5,7,9-11,18H,6,12H2,(H,16,17).
What are the key properties of 2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide?
2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 302.36 g/mol, XLogP of 1.62, 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-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 60824893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).