N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide

C21H17N3O3S — CID 7161306

IUPACN-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-15-22-20-10-6-5-9-19(20)21(25)24(15)17-13-11-16(12-14-17)23-28(26,27)18-7-3-2-4-8-18/h2-14,23H,1H3
InChIKeyGDSXFKXWZLVHSG-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.49
Rot. Bonds4

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

N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (PubChem CID 7161306) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
PubChem CID7161306
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC NameN-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C21H17N3O3S/c1-15-22-20-10-6-5-9-19(20)21(25)24(15)17-13-11-16(12-14-17)23-28(26,27)18-7-3-2-4-8-18/h2-14,23H,1H3
InChIKeyGDSXFKXWZLVHSG-UHFFFAOYSA-N
XLogP3.49
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide (CID 7161306) is N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is Cc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
The InChIKey is GDSXFKXWZLVHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-15-22-20-10-6-5-9-19(20)21(25)24(15)17-13-11-16(12-14-17)23-28(26,27)18-7-3-2-4-8-18/h2-14,23H,1H3.
What are the key properties of N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide?
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7161306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).