4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C17H13N3O4S2 — CID 5132461

IUPAC4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1OC(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc21
InChIInChI=1S/C17H13N3O4S2/c21-16-14-4-2-1-3-13(14)15(24-16)19-11-5-7-12(8-6-11)26(22,23)20-17-18-9-10-25-17/h1-10,15,19H,(H,18,20)
InChIKeyDVVYOICMFQPQIE-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.22
Rot. Bonds5

About 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 5132461) has the molecular formula C17H13N3O4S2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID5132461
Molecular FormulaC17H13N3O4S2
Molecular Weight387.44 g/mol
Exact Mass387.03
IUPAC Name4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1OC(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc21
InChIInChI=1S/C17H13N3O4S2/c21-16-14-4-2-1-3-13(14)15(24-16)19-11-5-7-12(8-6-11)26(22,23)20-17-18-9-10-25-17/h1-10,15,19H,(H,18,20)
InChIKeyDVVYOICMFQPQIE-UHFFFAOYSA-N
XLogP3.22
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 5132461) is 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1OC(Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc21.
What is the InChIKey of 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is DVVYOICMFQPQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4S2/c21-16-14-4-2-1-3-13(14)15(24-16)19-11-5-7-12(8-6-11)26(22,23)20-17-18-9-10-25-17/h1-10,15,19H,(H,18,20).
What are the key properties of 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 387.44 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-oxo-1H-2-benzofuran-1-yl)amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 5132461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).