3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide

C16H13N3O5S — CID 46962935

IUPAC3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
SMILESO=C1Cc2cc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc2N1
InChIInChI=1S/C16H13N3O5S/c20-15-6-9-5-10(1-3-12(9)17-15)19-25(22,23)11-2-4-14-13(7-11)18-16(21)8-24-14/h1-5,7,19H,6,8H2,(H,17,20)(H,18,21)
InChIKeyHQYWRCOCHBMBRE-UHFFFAOYSA-N
MW359.36 g/mol
LogP1.31
Rot. Bonds3

About 3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide

3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 46962935) has the molecular formula C16H13N3O5S and a molecular weight of 359.36 g/mol. Its IUPAC name is 3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound Name3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID46962935
Molecular FormulaC16H13N3O5S
Molecular Weight359.36 g/mol
Exact Mass359.06
IUPAC Name3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
SMILESO=C1Cc2cc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc2N1
InChIInChI=1S/C16H13N3O5S/c20-15-6-9-5-10(1-3-12(9)17-15)19-25(22,23)11-2-4-14-13(7-11)18-16(21)8-24-14/h1-5,7,19H,6,8H2,(H,17,20)(H,18,21)
InChIKeyHQYWRCOCHBMBRE-UHFFFAOYSA-N
XLogP1.31
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
4-fluoro-N-(2-oxo-1,3-dihydroindol-5-yl)benzenesulfonamide
CID 18570748
3-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4H-1,4-benzoxazine-6-sulfonamide
CID 31703497
N-(2-oxo-1,3-dihydroindol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 20933336
1-methyl-3-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]urea
CID 46518720
N-(3-nitrophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615772
3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]benzoic acid
CID 18230441
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydroindole-5-sulfonamide
CID 110724194
N-(3,4-dichlorophenyl)-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9055840
N-(3-acetylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 22548261
N-(4-butylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16620678
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 51335151

Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of 3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide (CID 46962935) is 3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for 3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for 3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide is O=C1Cc2cc(NS(=O)(=O)c3ccc4c(c3)NC(=O)CO4)ccc2N1.
What is the InChIKey of 3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is HQYWRCOCHBMBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5S/c20-15-6-9-5-10(1-3-12(9)17-15)19-25(22,23)11-2-4-14-13(7-11)18-16(21)8-24-14/h1-5,7,19H,6,8H2,(H,17,20)(H,18,21).
What are the key properties of 3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide?
3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 359.36 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 46962935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).