4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide

C15H13N5O4S — CID 135488903

IUPAC4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(N)[nH]c(=O)c3c2)cc1
InChIInChI=1S/C15H13N5O4S/c16-13(21)8-1-4-10(5-2-8)25(23,24)20-9-3-6-12-11(7-9)14(22)19-15(17)18-12/h1-7,20H,(H2,16,21)(H3,17,18,19,22)
InChIKeyVWUVQUWTYTVYNO-UHFFFAOYSA-N
MW359.37 g/mol
LogP0.41
Rot. Bonds4

About 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide

4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide (PubChem CID 135488903) has the molecular formula C15H13N5O4S and a molecular weight of 359.37 g/mol. Its IUPAC name is 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide
PubChem CID135488903
Molecular FormulaC15H13N5O4S
Molecular Weight359.37 g/mol
Exact Mass359.07
IUPAC Name4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide
SMILESNC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(N)[nH]c(=O)c3c2)cc1
InChIInChI=1S/C15H13N5O4S/c16-13(21)8-1-4-10(5-2-8)25(23,24)20-9-3-6-12-11(7-9)14(22)19-15(17)18-12/h1-7,20H,(H2,16,21)(H3,17,18,19,22)
InChIKeyVWUVQUWTYTVYNO-UHFFFAOYSA-N
XLogP0.41
TPSA161.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.37
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-Diaminoquinazolin-4-ol
CID 135413405
Benzenesulfonamide, N-[2-(3,4-dihydro-4-oxo-2-quinazolinyl)phenyl]-4-methyl-
CID 135400588
N-carbamoyl-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylpropanamide
CID 4851436
2,6-Diamino-8-phenylsulfanylmethyl-3H-quinazolin-4-one
CID 135499790
4-(Dimethylsulfamoyl)-N-methyl-N-[(4-oxo-1,4-dihydroquinazolin-2-yl)methyl]benzamide
CID 135500374
4-(4-Oxidanylidene-3h-Quinazolin-2-Yl)benzenesulfonamide
CID 135566660
3-(4-Oxo-3,4-Dihydroquinazolin-2-Yl)-N-[(1s)-1-(4-Sulfamoylphenyl)ethyl]propanamide
CID 135566843
3-(4-oxo-3,4-dihydroquinazolin-2-yl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 135893474
2-(4-oxoquinazolin-3(4H)-yl)-N-(4-sulfamoylbenzyl)acetamide
CID 16417878
4-(N,N-dimethylsulfamoyl)-N-(3-(4-fluorophenyl)-2-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)benzamide
CID 30867482
sodium 4-[(4-oxo-3H-quinazolin-2-yl)amino]benzenesulfonate
CID 136191461
N-(2-amino-4-oxo-3H-quinazolin-6-yl)-4-cyanobenzenesulfonamide
CID 137651195

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide?
The IUPAC name of 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide (CID 135488903) is 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide.
What is the SMILES notation for 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide?
The canonical SMILES for 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide is NC(=O)c1ccc(S(=O)(=O)Nc2ccc3nc(N)[nH]c(=O)c3c2)cc1.
What is the InChIKey of 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide?
The InChIKey is VWUVQUWTYTVYNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O4S/c16-13(21)8-1-4-10(5-2-8)25(23,24)20-9-3-6-12-11(7-9)14(22)19-15(17)18-12/h1-7,20H,(H2,16,21)(H3,17,18,19,22).
What are the key properties of 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide?
4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide has a molecular weight of 359.37 g/mol, XLogP of 0.41, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-4-oxo-3H-quinazolin-6-yl)sulfamoyl]benzamide is sourced from PubChem (CID 135488903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).