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

C13H12N2O4S — CID 60824289

IUPAC2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2C#CCO)on1
InChIInChI=1S/C13H12N2O4S/c1-10-9-13(19-14-10)15-20(17,18)12-7-3-2-5-11(12)6-4-8-16/h2-3,5,7,9,15-16H,8H2,1H3
InChIKeyNRGZFJIPRFHAEZ-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.13
Rot. Bonds3

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

2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (PubChem CID 60824289) has the molecular formula C13H12N2O4S and a molecular weight of 292.32 g/mol. Its IUPAC name is 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
PubChem CID60824289
Molecular FormulaC13H12N2O4S
Molecular Weight292.32 g/mol
Exact Mass292.05
IUPAC Name2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccccc2C#CCO)on1
InChIInChI=1S/C13H12N2O4S/c1-10-9-13(19-14-10)15-20(17,18)12-7-3-2-5-11(12)6-4-8-16/h2-3,5,7,9,15-16H,8H2,1H3
InChIKeyNRGZFJIPRFHAEZ-UHFFFAOYSA-N
XLogP1.13
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.13
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

3-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60824132
N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 107860458
2-(3-hydroxyprop-1-ynyl)-N',N'-dimethylbenzenesulfonohydrazide
CID 83023747
2-(3-hydroxyprop-1-ynyl)-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60822919
N-(4-fluorophenyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60823376
N-(2,2-dimethylpropyl)-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 61168671
4-amino-N-(3-methyl-1,2-oxazol-5-yl)naphthalene-1-sulfonamide
CID 115944383
N-butyl-2-(3-hydroxyprop-1-ynyl)benzenesulfonamide
CID 60822753
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
3-(methylamino)-N-(3-methyl-1,2-oxazol-5-yl)-2-nitrobenzenesulfonamide
CID 115993206
5-bromo-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
CID 60823742

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The IUPAC name of 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide (CID 60824289) is 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccccc2C#CCO)on1.
What is the InChIKey of 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
The InChIKey is NRGZFJIPRFHAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4S/c1-10-9-13(19-14-10)15-20(17,18)12-7-3-2-5-11(12)6-4-8-16/h2-3,5,7,9,15-16H,8H2,1H3.
What are the key properties of 2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide?
2-(3-hydroxyprop-1-ynyl)-N-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide has a molecular weight of 292.32 g/mol, XLogP of 1.13, 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-(3-methyl-1,2-oxazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 60824289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).