4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide

C13H11N3O5S3 — CID 46393001

IUPAC4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(-c3ccno3)cs2)cc1
InChIInChI=1S/C13H11N3O5S3/c14-23(17,18)11-3-1-10(2-4-11)16-24(19,20)13-7-9(8-22-13)12-5-6-15-21-12/h1-8,16H,(H2,14,17,18)
InChIKeyQJIURUAQGLPNDH-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.85
Rot. Bonds5

About 4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide

4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide (PubChem CID 46393001) has the molecular formula C13H11N3O5S3 and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
PubChem CID46393001
Molecular FormulaC13H11N3O5S3
Molecular Weight385.45 g/mol
Exact Mass384.99
IUPAC Name4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(-c3ccno3)cs2)cc1
InChIInChI=1S/C13H11N3O5S3/c14-23(17,18)11-3-1-10(2-4-11)16-24(19,20)13-7-9(8-22-13)12-5-6-15-21-12/h1-8,16H,(H2,14,17,18)
InChIKeyQJIURUAQGLPNDH-UHFFFAOYSA-N
XLogP1.85
TPSA132.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51043927
N-(2-methoxyphenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51048851
N-(3-ethoxypropyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 46393004
5-(5-piperidin-1-ylsulfonylthiophen-3-yl)-1,2-oxazole
CID 51048399
4-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)thiophene-2-sulfonamide
CID 46393030
4-(3-methyl-1,2-oxazol-5-yl)-N-[2-(4-sulfamoylphenyl)ethyl]thiophene-2-sulfonamide
CID 46393018
N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53130896
3-bromo-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide
CID 61063289
ethyl 4-[[4-(3-ethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonylamino]benzoate
CID 50835221
4-amino-N-(4-chlorophenyl)thiophene-2-sulfonamide
CID 61301108
2-methyl-N-[4-(1,2-oxazol-5-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20935284
N-(3-bromophenyl)-4-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 50835152

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide (CID 46393001) is 4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(-c3ccno3)cs2)cc1.
What is the InChIKey of 4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide?
The InChIKey is QJIURUAQGLPNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S3/c14-23(17,18)11-3-1-10(2-4-11)16-24(19,20)13-7-9(8-22-13)12-5-6-15-21-12/h1-8,16H,(H2,14,17,18).
What are the key properties of 4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide?
4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide has a molecular weight of 385.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-5-yl)-N-(4-sulfamoylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 46393001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).