4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide

C16H15N3O3S — CID 169373092

IUPAC4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)ccc3c(=O)[nH]cnc23)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-3-6-12(7-4-10)23(21,22)19-14-11(2)5-8-13-15(14)17-9-18-16(13)20/h3-9,19H,1-2H3,(H,17,18,20)
InChIKeyLQNACPPHZWZLDD-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.34
Rot. Bonds3

About 4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide

4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide (PubChem CID 169373092) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide
PubChem CID169373092
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)ccc3c(=O)[nH]cnc23)cc1
InChIInChI=1S/C16H15N3O3S/c1-10-3-6-12(7-4-10)23(21,22)19-14-11(2)5-8-13-15(14)17-9-18-16(13)20/h3-9,19H,1-2H3,(H,17,18,20)
InChIKeyLQNACPPHZWZLDD-UHFFFAOYSA-N
XLogP2.34
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(7-methyl-4-oxo-3H-quinazolin-8-yl)amino]methylidene]propanedinitrile
CID 168545078
4-methyl-N-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-3-yl)benzenesulfonamide
CID 135578059
4-methyl-N'-(5-nitro-6-oxo-1H-pyrimidin-4-yl)benzenesulfonohydrazide
CID 135709638
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(2-chloro-6-methylphenyl)-4-methylbenzenesulfonamide
CID 19256835
N-(6-amino-1,10-phenanthrolin-5-yl)-4-methylbenzenesulfonamide
CID 102264141
4-methyl-N-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)benzenesulfonamide
CID 41123755
3,7-dihydropyrrolo[2,3-h]quinazolin-4-one
CID 152522842
4-methyl-N-(2-methyl-6-propan-2-ylphenyl)benzenesulfonamide
CID 2804542
4-methyl-N-(3-oxo-1,2-dihydroindazol-5-yl)benzenesulfonamide
CID 169370724
N-[4-(1H-imidazol-5-yl)phenyl]-4-methylbenzenesulfonamide
CID 84512772
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide (CID 169373092) is 4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)ccc3c(=O)[nH]cnc23)cc1.
What is the InChIKey of 4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide?
The InChIKey is LQNACPPHZWZLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-10-3-6-12(7-4-10)23(21,22)19-14-11(2)5-8-13-15(14)17-9-18-16(13)20/h3-9,19H,1-2H3,(H,17,18,20).
What are the key properties of 4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide?
4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide has a molecular weight of 329.38 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(7-methyl-4-oxo-3H-quinazolin-8-yl)benzenesulfonamide is sourced from PubChem (CID 169373092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).