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2-(5-Hydroxypent-1-yn-1-yl)-benzenesulfonamide

HCID 19793583
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Basic information

Standard SMILES
NS(=O)(=O)c1ccccc1C#CCCCO
InChIKey
VABAQGGWSVXYTR-UHFFFAOYSA-N
Molecular formula
C11H13NO3S
Average molar mass
239.29 g/mol

Names & identifiers

Preferred name
2-(5-Hydroxypent-1-yn-1-yl)-benzenesulfonamide
IUPAC
2-(5-hydroxypent-1-ynyl)benzenesulfonamide

Names & synonyms

SCHEMBL9586669VABAQGGWSVXYTR-UHFFFAOYSA-N2-(5-hydroxypent-1-yn-1-yl)-benzenesulfonamide

Database identifiers

PubChem CID
19793583

Properties

Computed structural properties

XLogP
0.8
Topological polar surface area
88.8 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
16
Formal charge
0
Complexity
371

Related reactions

2 records
New reaction record
HRID 6381 reaction equation
HRID 6381As reactantuspto-grants-1993_09
HRID 2139877 reaction equation
HRID 2139877As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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