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

C16H15BrN2O4S — CID 84851488

IUPAC5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C16H15BrN2O4S/c1-9-3-4-11(17)7-15(9)24(21,22)19-12-5-6-14-13(8-12)18-16(20)10(2)23-14/h3-8,10,19H,1-2H3,(H,18,20)
InChIKeyUDSQDQSCGNQIBU-UHFFFAOYSA-N
MW411.28 g/mol
LogP3.28
Rot. Bonds3

About 5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide

5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide (PubChem CID 84851488) has the molecular formula C16H15BrN2O4S and a molecular weight of 411.28 g/mol. Its IUPAC name is 5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
PubChem CID84851488
Molecular FormulaC16H15BrN2O4S
Molecular Weight411.28 g/mol
Exact Mass409.99
IUPAC Name5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
SMILESCc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C16H15BrN2O4S/c1-9-3-4-11(17)7-15(9)24(21,22)19-12-5-6-14-13(8-12)18-16(20)10(2)23-14/h3-8,10,19H,1-2H3,(H,18,20)
InChIKeyUDSQDQSCGNQIBU-UHFFFAOYSA-N
XLogP3.28
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.28
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844847
2,5-dimethyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844857
2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 110778186
4-bromo-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 25346604
3-bromo-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 18092923
4-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 43036901
4-hydroxy-2-methyl-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-5-nitrobenzenesulfonamide
CID 97067745
2-fluoro-4,5-dimethoxy-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide
CID 42954780
3,4-difluoro-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]benzenesulfonamide
CID 8844849
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-propylbenzenesulfonamide
CID 8844714
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 8844810
6-(2-hydroxyethylamino)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82494411

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The IUPAC name of 5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide (CID 84851488) is 5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide is Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
The InChIKey is UDSQDQSCGNQIBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O4S/c1-9-3-4-11(17)7-15(9)24(21,22)19-12-5-6-14-13(8-12)18-16(20)10(2)23-14/h3-8,10,19H,1-2H3,(H,18,20).
What are the key properties of 5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide?
5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide has a molecular weight of 411.28 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzenesulfonamide is sourced from PubChem (CID 84851488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).