1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide

C21H17N3O4S — CID 177374477

IUPAC1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide
SMILESCn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C21H17N3O4S/c1-24-19-12-11-17(13-18(19)20(25)22-21(24)26)29(27,28)23-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,23H,1H3,(H,22,25,26)
InChIKeyAJPKGUCYWOAPGZ-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.69
Rot. Bonds4

About 1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide

1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide (PubChem CID 177374477) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide
PubChem CID177374477
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC Name1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide
SMILESCn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)ccc21
InChIInChI=1S/C21H17N3O4S/c1-24-19-12-11-17(13-18(19)20(25)22-21(24)26)29(27,28)23-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,23H,1H3,(H,22,25,26)
InChIKeyAJPKGUCYWOAPGZ-UHFFFAOYSA-N
XLogP2.69
TPSA101.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721833
3-chloro-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 110721894
1-methyl-N-(2-methyl-5-phenylphenyl)-2-oxo-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 21015304
4-methyl-2-oxo-N-phenyl-1H-quinoline-6-sulfonamide
CID 16804856
4-N-(4-phenylphenyl)benzene-1,4-disulfonamide
CID 8822463
N,3-diphenylbenzenesulfonamide
CID 54513984
1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 21015326
1,3-diethyl-2-oxo-N-phenylbenzimidazole-5-sulfonamide
CID 17252069
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
2-methoxy-N-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzenesulfonamide
CID 71291563
4-(benzenesulfonamido)-N-phenylbenzenesulfonamide
CID 1333712
N-hydroxy-4-[(1-methyl-3-phenylindol-5-yl)sulfamoyl]benzamide
CID 138634373

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide?
The IUPAC name of 1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide (CID 177374477) is 1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide.
What is the SMILES notation for 1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide?
The canonical SMILES for 1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide is Cn1c(=O)[nH]c(=O)c2cc(S(=O)(=O)Nc3ccc(-c4ccccc4)cc3)ccc21.
What is the InChIKey of 1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide?
The InChIKey is AJPKGUCYWOAPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-24-19-12-11-17(13-18(19)20(25)22-21(24)26)29(27,28)23-16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,23H,1H3,(H,22,25,26).
What are the key properties of 1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide?
1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide has a molecular weight of 407.45 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-N-(4-phenylphenyl)quinazoline-6-sulfonamide is sourced from PubChem (CID 177374477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).