N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

C15H14N2O5S — CID 16615768

IUPACN-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H14N2O5S/c1-21-13-5-3-2-4-11(13)17-23(19,20)10-6-7-14-12(8-10)16-15(18)9-22-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyIABAFLGTBIPTIC-UHFFFAOYSA-N
MW334.35 g/mol
LogP1.83
Rot. Bonds4

About N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide

N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (PubChem CID 16615768) has the molecular formula C15H14N2O5S and a molecular weight of 334.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
PubChem CID16615768
Molecular FormulaC15H14N2O5S
Molecular Weight334.35 g/mol
Exact Mass334.06
IUPAC NameN-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
SMILESCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C15H14N2O5S/c1-21-13-5-3-2-4-11(13)17-23(19,20)10-6-7-14-12(8-10)16-15(18)9-22-14/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeyIABAFLGTBIPTIC-UHFFFAOYSA-N
XLogP1.83
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-oxo-N-(2-propoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 16615861
N-[4-methoxy-3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]acetamide
CID 16615850
N-(2-methoxyphenyl)-2-[methyl-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]amino]acetamide
CID 22582533
N-(2-benzylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615812
N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615807
3-oxo-N-(2,3,4-trifluorophenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 18147171
N-(2-methoxyphenyl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 75361116
N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 110759012
methyl 3-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 16615870
N-(2-methoxyphenyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 16836899
3-oxo-N-(3-phenoxyphenyl)-4H-1,4-benzoxazine-6-sulfonamide
CID 51335151
3-oxo-N-[2-(2,2,2-trifluoroethylsulfanyl)phenyl]-4H-1,4-benzoxazine-6-sulfonamide
CID 16621028

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide (CID 16615768) is N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is COc1ccccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
The InChIKey is IABAFLGTBIPTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5S/c1-21-13-5-3-2-4-11(13)17-23(19,20)10-6-7-14-12(8-10)16-15(18)9-22-14/h2-8,17H,9H2,1H3,(H,16,18).
What are the key properties of N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide?
N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide has a molecular weight of 334.35 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide is sourced from PubChem (CID 16615768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).