2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide

C16H14ClN3O5S — CID 2229752

IUPAC2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1
InChIInChI=1S/C16H14ClN3O5S/c17-10-1-6-14-13(7-10)20(16(22)9-25-14)8-15(21)19-11-2-4-12(5-3-11)26(18,23)24/h1-7H,8-9H2,(H,19,21)(H2,18,23,24)
InChIKeyNRAQATONRXEMJO-UHFFFAOYSA-N
MW395.82 g/mol
LogP1.35
Rot. Bonds4

About 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide

2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2229752) has the molecular formula C16H14ClN3O5S and a molecular weight of 395.82 g/mol. Its IUPAC name is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide
PubChem CID2229752
Molecular FormulaC16H14ClN3O5S
Molecular Weight395.82 g/mol
Exact Mass395.03
IUPAC Name2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1
InChIInChI=1S/C16H14ClN3O5S/c17-10-1-6-14-13(7-10)20(16(22)9-25-14)8-15(21)19-11-2-4-12(5-3-11)26(18,23)24/h1-7H,8-9H2,(H,19,21)(H2,18,23,24)
InChIKeyNRAQATONRXEMJO-UHFFFAOYSA-N
XLogP1.35
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide (CID 2229752) is 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)cc1.
What is the InChIKey of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is NRAQATONRXEMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O5S/c17-10-1-6-14-13(7-10)20(16(22)9-25-14)8-15(21)19-11-2-4-12(5-3-11)26(18,23)24/h1-7H,8-9H2,(H,19,21)(H2,18,23,24).
What are the key properties of 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide?
2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 395.82 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-oxo-1,4-benzoxazin-4-yl)-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2229752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).