N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide

C15H13N3O3S — CID 11290013

IUPACN-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide
SMILESCc1nc2ccccc2c(=O)n1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13N3O3S/c1-11-16-14-10-6-5-9-13(14)15(19)18(11)17-22(20,21)12-7-3-2-4-8-12/h2-10,17H,1H3
InChIKeyGNESYOWNNIXWID-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.64
Rot. Bonds3

About N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide

N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide (PubChem CID 11290013) has the molecular formula C15H13N3O3S and a molecular weight of 315.35 g/mol. Its IUPAC name is N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide
PubChem CID11290013
Molecular FormulaC15H13N3O3S
Molecular Weight315.35 g/mol
Exact Mass315.07
IUPAC NameN-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide
SMILESCc1nc2ccccc2c(=O)n1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H13N3O3S/c1-11-16-14-10-6-5-9-13(14)15(19)18(11)17-22(20,21)12-7-3-2-4-8-12/h2-10,17H,1H3
InChIKeyGNESYOWNNIXWID-UHFFFAOYSA-N
XLogP1.64
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide (CID 11290013) is N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide is Cc1nc2ccccc2c(=O)n1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide?
The InChIKey is GNESYOWNNIXWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3S/c1-11-16-14-10-6-5-9-13(14)15(19)18(11)17-22(20,21)12-7-3-2-4-8-12/h2-10,17H,1H3.
What are the key properties of N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide?
N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide has a molecular weight of 315.35 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-oxoquinazolin-3-yl)benzenesulfonamide is sourced from PubChem (CID 11290013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).