N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide

C23H18FN3O3S — CID 78322134

IUPACN-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H18FN3O3S/c1-31(29,30)26-18-5-4-6-19(15-18)27-22(14-11-16-9-12-17(24)13-10-16)25-21-8-3-2-7-20(21)23(27)28/h2-15,26H,1H3/b14-11+
InChIKeyBOSCSMXJAILZNQ-SDNWHVSQSA-N
MW435.48 g/mol
LogP4.07
Rot. Bonds5

About N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide

N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide (PubChem CID 78322134) has the molecular formula C23H18FN3O3S and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide
PubChem CID78322134
Molecular FormulaC23H18FN3O3S
Molecular Weight435.48 g/mol
Exact Mass435.11
IUPAC NameN-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C23H18FN3O3S/c1-31(29,30)26-18-5-4-6-19(15-18)27-22(14-11-16-9-12-17(24)13-10-16)25-21-8-3-2-7-20(21)23(27)28/h2-15,26H,1H3/b14-11+
InChIKeyBOSCSMXJAILZNQ-SDNWHVSQSA-N
XLogP4.07
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide (CID 78322134) is N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1.
What is the InChIKey of N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide?
The InChIKey is BOSCSMXJAILZNQ-SDNWHVSQSA-N. The full InChI is InChI=1S/C23H18FN3O3S/c1-31(29,30)26-18-5-4-6-19(15-18)27-22(14-11-16-9-12-17(24)13-10-16)25-21-8-3-2-7-20(21)23(27)28/h2-15,26H,1H3/b14-11+.
What are the key properties of N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide?
N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide has a molecular weight of 435.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(E)-2-(4-fluorophenyl)ethenyl]-4-oxoquinazolin-3-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 78322134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).