N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide

C15H15N3O3S — CID 5068396

IUPACN-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NN1C(=O)c2ccccc2NC1c1ccccc1
InChIInChI=1S/C15H15N3O3S/c1-22(20,21)17-18-14(11-7-3-2-4-8-11)16-13-10-6-5-9-12(13)15(18)19/h2-10,14,16-17H,1H3
InChIKeyXWNFTKAMJNKIGK-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.72
Rot. Bonds3

About N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide

N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide (PubChem CID 5068396) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide
PubChem CID5068396
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide
SMILESCS(=O)(=O)NN1C(=O)c2ccccc2NC1c1ccccc1
InChIInChI=1S/C15H15N3O3S/c1-22(20,21)17-18-14(11-7-3-2-4-8-11)16-13-10-6-5-9-12(13)15(18)19/h2-10,14,16-17H,1H3
InChIKeyXWNFTKAMJNKIGK-UHFFFAOYSA-N
XLogP1.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
2,3-Dihydro-2-(4-methylphenyl)-4(1H)-quinazolinone
CID 2818760
2,3-Dihydro-2-methyl-4(1H)-quinazolinone
CID 14807234
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
3-(2-Phenylethyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
CID 696887
3-Amino-1H-quinazoline-2,4-dione
CID 968929
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
2-(4-fluorophenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 4789050
2-Phenyl-2,3-dihydroquinazolin-4(1h)-one
CID 270800
2-(4-methylsulfanylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 2867455
3-propyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
CID 976780

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
The IUPAC name of N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide (CID 5068396) is N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
The canonical SMILES for N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide is CS(=O)(=O)NN1C(=O)c2ccccc2NC1c1ccccc1.
What is the InChIKey of N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
The InChIKey is XWNFTKAMJNKIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-22(20,21)17-18-14(11-7-3-2-4-8-11)16-13-10-6-5-9-12(13)15(18)19/h2-10,14,16-17H,1H3.
What are the key properties of N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide?
N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-2-phenyl-1,2-dihydroquinazolin-3-yl)methanesulfonamide is sourced from PubChem (CID 5068396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).