3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide

C16H12N4O4S2 — CID 100724970

IUPAC3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3nsc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C16H12N4O4S2/c1-20-12-8-7-11(9-13(12)24-16(20)21)26(22,23)19-15-17-14(25-18-15)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19)
InChIKeySJPUCKUNAUACGU-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.45
Rot. Bonds4

About 3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide

3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide (PubChem CID 100724970) has the molecular formula C16H12N4O4S2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide.

Molecular Properties

Compound Name3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide
PubChem CID100724970
Molecular FormulaC16H12N4O4S2
Molecular Weight388.43 g/mol
Exact Mass388.03
IUPAC Name3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide
SMILESCn1c(=O)oc2cc(S(=O)(=O)Nc3nsc(-c4ccccc4)n3)ccc21
InChIInChI=1S/C16H12N4O4S2/c1-20-12-8-7-11(9-13(12)24-16(20)21)26(22,23)19-15-17-14(25-18-15)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19)
InChIKeySJPUCKUNAUACGU-UHFFFAOYSA-N
XLogP2.45
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide?
The IUPAC name of 3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide (CID 100724970) is 3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide.
What is the SMILES notation for 3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide?
The canonical SMILES for 3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide is Cn1c(=O)oc2cc(S(=O)(=O)Nc3nsc(-c4ccccc4)n3)ccc21.
What is the InChIKey of 3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide?
The InChIKey is SJPUCKUNAUACGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O4S2/c1-20-12-8-7-11(9-13(12)24-16(20)21)26(22,23)19-15-17-14(25-18-15)10-5-3-2-4-6-10/h2-9H,1H3,(H,18,19).
What are the key properties of 3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide?
3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide has a molecular weight of 388.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-N-(5-phenyl-1,2,4-thiadiazol-3-yl)-1,3-benzoxazole-6-sulfonamide is sourced from PubChem (CID 100724970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).