2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide

C16H16N2O4S — CID 110778186

IUPAC2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C16H16N2O4S/c1-10-5-3-4-6-15(10)23(20,21)18-12-7-8-14-13(9-12)17-16(19)11(2)22-14/h3-9,11,18H,1-2H3,(H,17,19)
InChIKeyHUOUQCOGNBSKQS-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.52
Rot. Bonds3

About 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide

2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide (PubChem CID 110778186) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
PubChem CID110778186
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C16H16N2O4S/c1-10-5-3-4-6-15(10)23(20,21)18-12-7-8-14-13(9-12)17-16(19)11(2)22-14/h3-9,11,18H,1-2H3,(H,17,19)
InChIKeyHUOUQCOGNBSKQS-UHFFFAOYSA-N
XLogP2.52
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844857
5-bromo-2-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844847
5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 84851488
4-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 25346604
4-hydroxy-2-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-nitrobenzenesulfonamide
CID 97067745
3-bromo-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 18092923
2-fluoro-4,5-dimethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 42954780
4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43036901
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenylmethanesulfonamide
CID 8844758
3,4-difluoro-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844849
3-cyano-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844776
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide (CID 110778186) is 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The InChIKey is HUOUQCOGNBSKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-10-5-3-4-6-15(10)23(20,21)18-12-7-8-14-13(9-12)17-16(19)11(2)22-14/h3-9,11,18H,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 110778186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).