2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide

C14H9N3O4S3 — CID 108783079

IUPAC2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cc2o1
InChIInChI=1S/C14H9N3O4S3/c18-14-16-9-4-3-8(6-11(9)21-14)24(19,20)17-13-15-10(7-23-13)12-2-1-5-22-12/h1-7H,(H,15,17)(H,16,18)
InChIKeyVQIDVEMRJSQBHD-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.11
Rot. Bonds4

About 2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide

2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide (PubChem CID 108783079) has the molecular formula C14H9N3O4S3 and a molecular weight of 379.44 g/mol. Its IUPAC name is 2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
PubChem CID108783079
Molecular FormulaC14H9N3O4S3
Molecular Weight379.44 g/mol
Exact Mass378.98
IUPAC Name2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
SMILESO=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cc2o1
InChIInChI=1S/C14H9N3O4S3/c18-14-16-9-4-3-8(6-11(9)21-14)24(19,20)17-13-15-10(7-23-13)12-2-1-5-22-12/h1-7H,(H,15,17)(H,16,18)
InChIKeyVQIDVEMRJSQBHD-UHFFFAOYSA-N
XLogP3.11
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

2-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide
CID 108783493
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110756975
2-oxo-N-[3-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 108784276
N-(4-thiophen-2-yl-1,3-thiazol-2-yl)thiophene-2-sulfonamide
CID 8603530
N-(6-chloro-1,3-benzothiazol-2-yl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108782569
N-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)sulfamoyl]phenyl]acetamide
CID 5058907
N-[6-[2-[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]-1,3-thiazol-4-yl]-3,4-dihydro-2H-chromen-4-yl]acetamide
CID 108781120
N-[5-[(1,3-dioxoisoindol-2-yl)methyl]-1,3,4-thiadiazol-2-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 108781485
2-oxo-N-[(4-pyridin-2-yl-1,3-thiazol-2-yl)methyl]-3H-1,3-benzoxazole-6-sulfonamide
CID 110317990
N-(4-aminophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 82104270
N-(3-fluorophenyl)-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 24686498
N-(4,6-dimethylpyrimidin-2-yl)-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]benzenesulfonamide
CID 3128431

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide (CID 108783079) is 2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide is O=c1[nH]c2ccc(S(=O)(=O)Nc3nc(-c4cccs4)cs3)cc2o1.
What is the InChIKey of 2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide?
The InChIKey is VQIDVEMRJSQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3O4S3/c18-14-16-9-4-3-8(6-11(9)21-14)24(19,20)17-13-15-10(7-23-13)12-2-1-5-22-12/h1-7H,(H,15,17)(H,16,18).
What are the key properties of 2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide?
2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide has a molecular weight of 379.44 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-3H-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 108783079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).