N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide

C13H11N3O5S2 — CID 138043321

IUPACN-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)Nc2cccc3c2OCC(=O)N3)cs1
InChIInChI=1S/C13H11N3O5S2/c14-23(19,20)11-4-7(6-22-11)13(18)16-9-3-1-2-8-12(9)21-5-10(17)15-8/h1-4,6H,5H2,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeyLVWOEJACOFGVOY-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.98
Rot. Bonds3

About N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide

N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide (PubChem CID 138043321) has the molecular formula C13H11N3O5S2 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide
PubChem CID138043321
Molecular FormulaC13H11N3O5S2
Molecular Weight353.38 g/mol
Exact Mass353.01
IUPAC NameN-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide
SMILESNS(=O)(=O)c1cc(C(=O)Nc2cccc3c2OCC(=O)N3)cs1
InChIInChI=1S/C13H11N3O5S2/c14-23(19,20)11-4-7(6-22-11)13(18)16-9-3-1-2-8-12(9)21-5-10(17)15-8/h1-4,6H,5H2,(H,15,17)(H,16,18)(H2,14,19,20)
InChIKeyLVWOEJACOFGVOY-UHFFFAOYSA-N
XLogP0.98
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide?
The IUPAC name of N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide (CID 138043321) is N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide.
What is the SMILES notation for N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide?
The canonical SMILES for N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide is NS(=O)(=O)c1cc(C(=O)Nc2cccc3c2OCC(=O)N3)cs1.
What is the InChIKey of N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide?
The InChIKey is LVWOEJACOFGVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O5S2/c14-23(19,20)11-4-7(6-22-11)13(18)16-9-3-1-2-8-12(9)21-5-10(17)15-8/h1-4,6H,5H2,(H,15,17)(H,16,18)(H2,14,19,20).
What are the key properties of N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide?
N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-4H-1,4-benzoxazin-8-yl)-5-sulfamoylthiophene-3-carboxamide is sourced from PubChem (CID 138043321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).