2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid

C15H12N2O6S — CID 166211679

IUPAC2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid
SMILESO=C1COc2cccc(S(=O)(=O)Nc3ccccc3C(=O)O)c2N1
InChIInChI=1S/C15H12N2O6S/c18-13-8-23-11-6-3-7-12(14(11)16-13)24(21,22)17-10-5-2-1-4-9(10)15(19)20/h1-7,17H,8H2,(H,16,18)(H,19,20)
InChIKeyMFEIXFCDBQDRQA-UHFFFAOYSA-N
MW348.34 g/mol
LogP1.52
Rot. Bonds4

About 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid

2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid (PubChem CID 166211679) has the molecular formula C15H12N2O6S and a molecular weight of 348.34 g/mol. Its IUPAC name is 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid.

Molecular Properties

Compound Name2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid
PubChem CID166211679
Molecular FormulaC15H12N2O6S
Molecular Weight348.34 g/mol
Exact Mass348.04
IUPAC Name2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid
SMILESO=C1COc2cccc(S(=O)(=O)Nc3ccccc3C(=O)O)c2N1
InChIInChI=1S/C15H12N2O6S/c18-13-8-23-11-6-3-7-12(14(11)16-13)24(21,22)17-10-5-2-1-4-9(10)15(19)20/h1-7,17H,8H2,(H,16,18)(H,19,20)
InChIKeyMFEIXFCDBQDRQA-UHFFFAOYSA-N
XLogP1.52
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-2-methyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzenesulfonamide
CID 110713237
methyl 3-oxo-4H-1,4-benzoxazine-5-carboxylate
CID 59153381
N-(3-oxo-4H-1,4-benzoxazin-5-yl)propane-1-sulfonamide
CID 110713222
2-[(2-methoxyphenyl)sulfonylamino]benzoic acid
CID 43091453
CID 91495824
CID 91495824
4-tert-butyl-N-(3-oxo-4H-1,4-benzoxazin-5-yl)benzamide
CID 110713165
N-methyl-2-[(3-oxo-4H-1,4-benzoxazin-5-yl)amino]-N-phenylpropanamide
CID 167790240
2-[3-(3-oxo-4H-1,4-benzoxazin-7-yl)prop-2-enoylamino]benzoic acid
CID 146373927
ethyl 2-[(3-oxo-4H-1,4-benzoxazine-5-carbonyl)amino]benzoate
CID 110699795
5-bromo-N-(3-oxo-4H-1,4-benzoxazin-5-yl)furan-2-carboxamide
CID 110742113
N-(2,5-dimethylphenyl)-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699718
N-cyclohexyl-3-oxo-4H-1,4-benzoxazine-5-carboxamide
CID 110699638

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid?
The IUPAC name of 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid (CID 166211679) is 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid.
What is the SMILES notation for 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid?
The canonical SMILES for 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid is O=C1COc2cccc(S(=O)(=O)Nc3ccccc3C(=O)O)c2N1.
What is the InChIKey of 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid?
The InChIKey is MFEIXFCDBQDRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6S/c18-13-8-23-11-6-3-7-12(14(11)16-13)24(21,22)17-10-5-2-1-4-9(10)15(19)20/h1-7,17H,8H2,(H,16,18)(H,19,20).
What are the key properties of 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid?
2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid has a molecular weight of 348.34 g/mol, XLogP of 1.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-4H-1,4-benzoxazin-5-yl)sulfonylamino]benzoic acid is sourced from PubChem (CID 166211679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).