4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide

C15H14N2O4S — CID 110504134

IUPAC4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1
InChIInChI=1S/C15H14N2O4S/c1-10-2-5-12(6-3-10)22(19,20)17-11-4-7-13-14(8-11)21-9-15(18)16-13/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeySSOLBNIXIPCSFR-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.13
Rot. Bonds3

About 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide

4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide (PubChem CID 110504134) has the molecular formula C15H14N2O4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide
PubChem CID110504134
Molecular FormulaC15H14N2O4S
Molecular Weight318.35 g/mol
Exact Mass318.07
IUPAC Name4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1
InChIInChI=1S/C15H14N2O4S/c1-10-2-5-12(6-3-10)22(19,20)17-11-4-7-13-14(8-11)21-9-15(18)16-13/h2-8,17H,9H2,1H3,(H,16,18)
InChIKeySSOLBNIXIPCSFR-UHFFFAOYSA-N
XLogP2.13
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-7-sulfonamide
CID 126458734
ethane;7-methyl-4H-1,4-benzoxazin-3-one
CID 143712087
3-oxo-N-(2-oxo-1,3-dihydroindol-5-yl)-4H-1,4-benzoxazine-6-sulfonamide
CID 46962935
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2346974
N-(3,4-dichlorophenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 31699666
N-(3,3-dimethyl-4-oxo-2,5-dihydro-1,5-benzoxazepin-8-yl)-4-fluorobenzenesulfonamide
CID 40957298
4-methyl-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzenesulfonamide
CID 110738462
3-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4H-1,4-benzoxazine-6-sulfonamide
CID 31703497
N-(2-fluoro-4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-6-sulfonamide
CID 16615807
4-methyl-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]benzenesulfonamide
CID 110789961
1-methyl-3-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)sulfonylamino]phenyl]urea
CID 46518720
6-ethylsulfonyl-N-(4-methylphenyl)-3-oxo-4H-1,4-benzoxazine-8-sulfonamide
CID 167344291

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide (CID 110504134) is 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCC(=O)N3)cc1.
What is the InChIKey of 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide?
The InChIKey is SSOLBNIXIPCSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4S/c1-10-2-5-12(6-3-10)22(19,20)17-11-4-7-13-14(8-11)21-9-15(18)16-13/h2-8,17H,9H2,1H3,(H,16,18).
What are the key properties of 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide?
4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide has a molecular weight of 318.35 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)benzenesulfonamide is sourced from PubChem (CID 110504134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).