3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide

C21H14Cl2N4O4S — CID 166202439

IUPAC3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide
SMILESO=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C21H14Cl2N4O4S/c22-13-4-6-17(23)19(9-13)32(30,31)27-15-3-1-2-12(8-15)20(28)26-14-5-7-18-16(10-14)21(29)25-11-24-18/h1-11,27H,(H,26,28)(H,24,25,29)
InChIKeyBUHVFVXBAXXUBW-UHFFFAOYSA-N
MW489.34 g/mol
LogP4.28
Rot. Bonds5

About 3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide

3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide (PubChem CID 166202439) has the molecular formula C21H14Cl2N4O4S and a molecular weight of 489.34 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide
PubChem CID166202439
Molecular FormulaC21H14Cl2N4O4S
Molecular Weight489.34 g/mol
Exact Mass488.01
IUPAC Name3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide
SMILESO=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C21H14Cl2N4O4S/c22-13-4-6-17(23)19(9-13)32(30,31)27-15-3-1-2-12(8-15)20(28)26-14-5-7-18-16(10-14)21(29)25-11-24-18/h1-11,27H,(H,26,28)(H,24,25,29)
InChIKeyBUHVFVXBAXXUBW-UHFFFAOYSA-N
XLogP4.28
TPSA121.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.34
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoylphenyl)-3-[(2,5-dichlorophenyl)sulfonylamino]benzamide
CID 24640884
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
3-[(2,5-dichlorophenyl)sulfonylamino]-N-(1,3-thiazol-2-yl)benzamide
CID 17477065
4-chloro-N-(3,4-difluorophenyl)-3-(phenylsulfamoyl)benzamide
CID 2304457
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55959975
3-(benzenesulfonamido)-N-(3-chlorophenyl)benzamide
CID 7541939
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2079648
4-[[3-[(5-chloro-2-methoxyphenyl)sulfonylamino]benzoyl]amino]benzoic acid
CID 11977548
4-chloro-N-(4-chlorophenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 126388299
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-(3-fluorophenyl)benzamide
CID 4217284

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide?
The IUPAC name of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide (CID 166202439) is 3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide?
The canonical SMILES for 3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide is O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide?
The InChIKey is BUHVFVXBAXXUBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2N4O4S/c22-13-4-6-17(23)19(9-13)32(30,31)27-15-3-1-2-12(8-15)20(28)26-14-5-7-18-16(10-14)21(29)25-11-24-18/h1-11,27H,(H,26,28)(H,24,25,29).
What are the key properties of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide?
3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide has a molecular weight of 489.34 g/mol, XLogP of 4.28, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-oxo-3H-quinazolin-6-yl)benzamide is sourced from PubChem (CID 166202439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).