N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

C17H16N2O5S — CID 22548380

IUPACN-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1
InChIInChI=1S/C17H16N2O5S/c1-10-6-14-15(24-9-17(21)18-14)8-16(10)25(22,23)19-13-5-3-4-12(7-13)11(2)20/h3-8,19H,9H2,1-2H3,(H,18,21)
InChIKeyMHHVZLCYBRNOCH-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.33
Rot. Bonds4

About N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide

N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (PubChem CID 22548380) has the molecular formula C17H16N2O5S and a molecular weight of 360.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
PubChem CID22548380
Molecular FormulaC17H16N2O5S
Molecular Weight360.39 g/mol
Exact Mass360.08
IUPAC NameN-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1
InChIInChI=1S/C17H16N2O5S/c1-10-6-14-15(24-9-17(21)18-14)8-16(10)25(22,23)19-13-5-3-4-12(7-13)11(2)20/h3-8,19H,9H2,1-2H3,(H,18,21)
InChIKeyMHHVZLCYBRNOCH-UHFFFAOYSA-N
XLogP2.33
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4H-1-Benzopyran-2-carboxanilide, 4-oxo-4'-sulfamoyl-
CID 19703
N-(4-fluoro-2-methylphenyl)-3-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]propanamide
CID 16018461
N-(2-ethoxyphenyl)-6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 2463208
N-(2-ethoxyphenyl)-4-methyl-3-{[(4-methylphenyl)amino]sulfonyl}benzamide
CID 1266608
6-(3-phenylprop-2-enoyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 6262674
S-[2-[4-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)sulfonylamino]phenyl]-2-oxoethyl] ethanethioate
CID 11704469
N-(2,4-dimethoxyphenyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
CID 16018480
4-acetyl-N-(4-methoxyphenyl)-6-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
CID 16018553
N-(3,5-dimethoxyphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 22548337
N-(3,4-dimethylphenyl)-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-sulfonamide
CID 22548371
1-[(2-ethyl-6-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 50764718
N-(2-Ethoxy-phenyl)-4-(morpholine-4-sulfonyl)-benzamide
CID 650265

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide (CID 22548380) is N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1.
What is the InChIKey of N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
The InChIKey is MHHVZLCYBRNOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O5S/c1-10-6-14-15(24-9-17(21)18-14)8-16(10)25(22,23)19-13-5-3-4-12(7-13)11(2)20/h3-8,19H,9H2,1-2H3,(H,18,21).
What are the key properties of N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide?
N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide has a molecular weight of 360.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-methyl-3-oxo-4H-1,4-benzoxazine-7-sulfonamide is sourced from PubChem (CID 22548380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).