2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide

C11H14N2O3S — CID 83023747

IUPAC2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccccc1C#CCO
InChIInChI=1S/C11H14N2O3S/c1-13(2)12-17(15,16)11-8-4-3-6-10(11)7-5-9-14/h3-4,6,8,12,14H,9H2,1-2H3
InChIKeyLKTFTOTZFCHUPD-UHFFFAOYSA-N
MW254.31 g/mol
LogP-0.21
Rot. Bonds3

About 2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide

2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide (PubChem CID 83023747) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
PubChem CID83023747
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
SMILESCN(C)NS(=O)(=O)c1ccccc1C#CCO
InChIInChI=1S/C11H14N2O3S/c1-13(2)12-17(15,16)11-8-4-3-6-10(11)7-5-9-14/h3-4,6,8,12,14H,9H2,1-2H3
InChIKeyLKTFTOTZFCHUPD-UHFFFAOYSA-N
XLogP-0.21
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-dimethylpropyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61168671
N-butyl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822753
N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823376
2-(3-hydroxyprop-1-ynyl)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 60844580
2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822919
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60824289
2-(3-hydroxyprop-1-ynyl)-N-(4-methylpiperazin-1-yl)benzenesulfonamide
CID 83016568
N-hexan-3-yl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 62094388
2-(3-hydroxyprop-1-ynyl)-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63963966
5-(3-hydroxyprop-1-ynyl)-N',N',2-trimethylbenzenesulfonohydrazide
CID 83023485
2-[[2-(3-hydroxyprop-1-ynyl)phenyl]sulfonylamino]-N-propylacetamide
CID 60824642
2-(3-hydroxyprop-1-ynyl)-N-(1-methoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 65048095

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide (CID 83023747) is 2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide is CN(C)NS(=O)(=O)c1ccccc1C#CCO.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide?
The InChIKey is LKTFTOTZFCHUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-13(2)12-17(15,16)11-8-4-3-6-10(11)7-5-9-14/h3-4,6,8,12,14H,9H2,1-2H3.
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide?
2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide has a molecular weight of 254.31 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide is sourced from PubChem (CID 83023747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).