2-(benzenesulfonylmethyl)-3H-quinazolin-4-one

C15H12N2O3S — CID 135471904

IUPAC2-(benzenesulfonylmethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(CS(=O)(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C15H12N2O3S/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-21(19,20)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKeyQVRHZLYFGFVZRW-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.90
Rot. Bonds3

About 2-(benzenesulfonylmethyl)-3H-quinazolin-4-one

2-(benzenesulfonylmethyl)-3H-quinazolin-4-one (PubChem CID 135471904) has the molecular formula C15H12N2O3S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-(benzenesulfonylmethyl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(benzenesulfonylmethyl)-3H-quinazolin-4-one
PubChem CID135471904
Molecular FormulaC15H12N2O3S
Molecular Weight300.34 g/mol
Exact Mass300.06
IUPAC Name2-(benzenesulfonylmethyl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(CS(=O)(=O)c2ccccc2)nc2ccccc12
InChIInChI=1S/C15H12N2O3S/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-21(19,20)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18)
InChIKeyQVRHZLYFGFVZRW-UHFFFAOYSA-N
XLogP1.90
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(benzenesulfonylmethyl)-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Thienyl)-4(3H)-quinazolinone
CID 135415499
Glycosminine
CID 135426527
N-[4-(4-oxo-3,4-dihydroquinazolin-2-yl)phenyl]thiophene-2-carboxamide
CID 135414635
N-[(4-Oxo-3,4-Dihydroquinazolin-2-Yl)methyl]-3-Phenyl-N-(Thiophen-2-Ylmethyl)propanamide
CID 135478170
2-[[2-(4-chlorophenyl)sulfonylethyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135543467
N-(1,1-dioxothiolan-3-yl)-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135697578
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135735442
N-(4-hydroxyquinazolin-2-yl)-2-(methylsulfanyl)benzamide
CID 135433187
Stk723913
CID 135408573
2-styrylquinazolin-4(3H)-one
CID 135410232
Benzenesulfonamide, N-[2-(3,4-dihydro-4-oxo-2-quinazolinyl)phenyl]-4-methyl-
CID 135400588
AC1M37SN
CID 135476414

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonylmethyl)-3H-quinazolin-4-one?
The IUPAC name of 2-(benzenesulfonylmethyl)-3H-quinazolin-4-one (CID 135471904) is 2-(benzenesulfonylmethyl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(benzenesulfonylmethyl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(benzenesulfonylmethyl)-3H-quinazolin-4-one is O=c1[nH]c(CS(=O)(=O)c2ccccc2)nc2ccccc12.
What is the InChIKey of 2-(benzenesulfonylmethyl)-3H-quinazolin-4-one?
The InChIKey is QVRHZLYFGFVZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3S/c18-15-12-8-4-5-9-13(12)16-14(17-15)10-21(19,20)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17,18).
What are the key properties of 2-(benzenesulfonylmethyl)-3H-quinazolin-4-one?
2-(benzenesulfonylmethyl)-3H-quinazolin-4-one has a molecular weight of 300.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonylmethyl)-3H-quinazolin-4-one is sourced from PubChem (CID 135471904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).