3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide

C14H17NO4S — CID 82735852

IUPAC3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C14H17NO4S/c1-11-14(7-9-19-11)15-20(17,18)13-6-2-4-12(10-13)5-3-8-16/h2,4,6,10-11,14-16H,7-9H2,1H3
InChIKeyURXZFJHQSBBXPZ-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.49
Rot. Bonds3

About 3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide

3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide (PubChem CID 82735852) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is 3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
PubChem CID82735852
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Name3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide
SMILESCC1OCCC1NS(=O)(=O)c1cccc(C#CCO)c1
InChIInChI=1S/C14H17NO4S/c1-11-14(7-9-19-11)15-20(17,18)13-6-2-4-12(10-13)5-3-8-16/h2,4,6,10-11,14-16H,7-9H2,1H3
InChIKeyURXZFJHQSBBXPZ-UHFFFAOYSA-N
XLogP0.49
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.49
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

N-(1-cyclopropylethyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 54926250
3-(3-aminoprop-1-ynyl)-N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64921082
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700
N-cyclopropyl-3-(3-hydroxyprop-1-ynyl)-N-methylbenzenesulfonamide
CID 54926862
3-(3-hydroxyprop-1-ynyl)-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 60823010
3-(3-hydroxyprop-1-ynyl)-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83015854
N-(2,3-dimethylbutyl)-3-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 64598282
N-[1-[3-(3-hydroxyprop-1-ynyl)phenyl]ethyl]-2-methyloxolane-3-carboxamide
CID 79755724
2-fluoro-4-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzamide
CID 82736858
3-(4-hydroxybut-1-ynyl)-N-methylbenzenesulfonamide
CID 60824271
3-[3-(4-ethylpiperidin-1-yl)sulfonylphenyl]prop-2-yn-1-ol
CID 61422153
3-(3-hydroxyprop-1-ynyl)-N-(3-methylpentan-2-yl)benzenesulfonamide
CID 61466225

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The IUPAC name of 3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide (CID 82735852) is 3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The canonical SMILES for 3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide is CC1OCCC1NS(=O)(=O)c1cccc(C#CCO)c1.
What is the InChIKey of 3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
The InChIKey is URXZFJHQSBBXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-11-14(7-9-19-11)15-20(17,18)13-6-2-4-12(10-13)5-3-8-16/h2,4,6,10-11,14-16H,7-9H2,1H3.
What are the key properties of 3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide?
3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyprop-1-ynyl)-N-(2-methyloxolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 82735852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).