2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C13H12N2O3S2 — CID 60822919

IUPAC2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccccc2C#CCO)s1
InChIInChI=1S/C13H12N2O3S2/c1-10-9-14-13(19-10)15-20(17,18)12-7-3-2-5-11(12)6-4-8-16/h2-3,5,7,9,16H,8H2,1H3,(H,14,15)
InChIKeyGUXFFSGJXVJUTR-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.60
Rot. Bonds3

About 2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide

2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 60822919) has the molecular formula C13H12N2O3S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID60822919
Molecular FormulaC13H12N2O3S2
Molecular Weight308.38 g/mol
Exact Mass308.03
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cnc(NS(=O)(=O)c2ccccc2C#CCO)s1
InChIInChI=1S/C13H12N2O3S2/c1-10-9-14-13(19-10)15-20(17,18)12-7-3-2-5-11(12)6-4-8-16/h2-3,5,7,9,16H,8H2,1H3,(H,14,15)
InChIKeyGUXFFSGJXVJUTR-UHFFFAOYSA-N
XLogP1.60
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.60
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

2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83023747
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60824289
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-3,4-dimethylbenzenesulfonamide
CID 60812908
5-fluoro-N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 60814249
N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823376
N-(2,2-dimethylpropyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61168671
N-butyl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822753
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]-2-methylpyrazole-3-sulfonamide
CID 104710390
2-(3-hydroxyprop-1-ynyl)-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106217870
N-[5-(3-hydroxyprop-1-ynyl)-1,3-thiazol-2-yl]propane-1-sulfonamide
CID 60813569
2-(dimethylsulfamoylamino)-5-(3-hydroxyprop-1-ynyl)-1,3-thiazole
CID 60814917
2-(3-hydroxyprop-1-ynyl)-N-(2-sulfamoylethyl)benzenesulfonamide
CID 60844580

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 60822919) is 2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1cnc(NS(=O)(=O)c2ccccc2C#CCO)s1.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is GUXFFSGJXVJUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S2/c1-10-9-14-13(19-10)15-20(17,18)12-7-3-2-5-11(12)6-4-8-16/h2-3,5,7,9,16H,8H2,1H3,(H,14,15).
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 1.60, 3 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-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 60822919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).