2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

C14H15N3O3S — CID 61461984

IUPAC2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1cccn1)c1ccccc1C#CCO
InChIInChI=1S/C14H15N3O3S/c18-12-3-6-13-5-1-2-7-14(13)21(19,20)16-9-11-17-10-4-8-15-17/h1-2,4-5,7-8,10,16,18H,9,11-12H2
InChIKeyYXHLZONXUYNURN-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.21
Rot. Bonds5

About 2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide

2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (PubChem CID 61461984) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
PubChem CID61461984
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1cccn1)c1ccccc1C#CCO
InChIInChI=1S/C14H15N3O3S/c18-12-3-6-13-5-1-2-7-14(13)21(19,20)16-9-11-17-10-4-8-15-17/h1-2,4-5,7-8,10,16,18H,9,11-12H2
InChIKeyYXHLZONXUYNURN-UHFFFAOYSA-N
XLogP0.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822753
2-(3-hydroxyprop-1-ynyl)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 60844580
4-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]butanamide
CID 60863085
N-(2,2-dimethylpropyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61168671
2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83023747
2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide
CID 60824642
4-(3-aminoprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61461366
2-(3-hydroxyprop-1-ynyl)-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83016568
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63963966
4-fluoro-2-methyl-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 110716621
2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460076
4-bromo-3-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
CID 61463139

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide (CID 61461984) is 2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is O=S(=O)(NCCn1cccn1)c1ccccc1C#CCO.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
The InChIKey is YXHLZONXUYNURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-12-3-6-13-5-1-2-7-14(13)21(19,20)16-9-11-17-10-4-8-15-17/h1-2,4-5,7-8,10,16,18H,9,11-12H2.
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide?
2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide has a molecular weight of 305.36 g/mol, XLogP of 0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-N-(2-pyrazol-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 61461984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).