4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide

C16H16N2O4S — CID 110713352

IUPAC4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c2N(C)C(=O)CO3)cc1
InChIInChI=1S/C16H16N2O4S/c1-11-6-8-12(9-7-11)23(20,21)17-13-4-3-5-14-16(13)18(2)15(19)10-22-14/h3-9,17H,10H2,1-2H3
InChIKeyQJWMBPKIVGDQAP-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.15
Rot. Bonds3

About 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide

4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide (PubChem CID 110713352) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide
PubChem CID110713352
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cccc3c2N(C)C(=O)CO3)cc1
InChIInChI=1S/C16H16N2O4S/c1-11-6-8-12(9-7-11)23(20,21)17-13-4-3-5-14-16(13)18(2)15(19)10-22-14/h3-9,17H,10H2,1-2H3
InChIKeyQJWMBPKIVGDQAP-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)propane-1-sulfonamide
CID 110713348
N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-1-(2-methylphenyl)methanesulfonamide
CID 110713363
3-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzamide
CID 110713280
N-(2-methoxyphenyl)-4-methyl-3-oxo-1,4-benzoxazine-6-sulfonamide
CID 110759012
N-[3-fluoro-2-(4-methylpiperazin-1-yl)phenyl]-4-methylbenzenesulfonamide
CID 169372003
4-methyl-N-(1-methyl-2-oxo-3,4-dihydroquinazolin-5-yl)benzenesulfonamide
CID 169372861
tert-butyl 7-[(4-methylphenyl)sulfonylamino]-2,3-dihydroindole-1-carboxylate
CID 169370615
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)-2-oxopiperidine-4-carboxamide
CID 136570612
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide (CID 110713352) is 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cccc3c2N(C)C(=O)CO3)cc1.
What is the InChIKey of 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide?
The InChIKey is QJWMBPKIVGDQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11-6-8-12(9-7-11)23(20,21)17-13-4-3-5-14-16(13)18(2)15(19)10-22-14/h3-9,17H,10H2,1-2H3.
What are the key properties of 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide?
4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide has a molecular weight of 332.38 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-3-oxo-1,4-benzoxazin-5-yl)benzenesulfonamide is sourced from PubChem (CID 110713352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).