4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide

C21H17N3O3S — CID 135400588

IUPAC4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14-10-12-15(13-11-14)28(26,27)24-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(25)23-20/h2-13,24H,1H3,(H,22,23,25)
InChIKeyPJUVRKPTCSHXQT-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.70
Rot. Bonds4

About 4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide

4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide (PubChem CID 135400588) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide
PubChem CID135400588
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3c(=O)[nH]2)cc1
InChIInChI=1S/C21H17N3O3S/c1-14-10-12-15(13-11-14)28(26,27)24-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(25)23-20/h2-13,24H,1H3,(H,22,23,25)
InChIKeyPJUVRKPTCSHXQT-UHFFFAOYSA-N
XLogP3.70
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 168273363
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749
N-((S)-1-Phenyl-propyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44327941
N-Phenethyl-2-(toluene-4-sulfonylamino)-benzamide
CID 7824621
4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide
CID 135488903
AC1M37SN
CID 135476414
2-[3-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide
CID 2458895
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2517126
N-(4-(2-methyl-4-oxoquinazolin-3(4H)-yl)phenyl)benzenesulfonamide
CID 7161306
Egfr/her2/cdk9-IN-1
CID 24231093
4-[2-[2-[(4-Methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide
CID 24364473

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide (CID 135400588) is 4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2-c2nc3ccccc3c(=O)[nH]2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is PJUVRKPTCSHXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-14-10-12-15(13-11-14)28(26,27)24-19-9-5-2-6-16(19)20-22-18-8-4-3-7-17(18)21(25)23-20/h2-13,24H,1H3,(H,22,23,25).
What are the key properties of 4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide?
4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 391.45 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-oxo-3H-quinazolin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 135400588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).