4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide

C21H16N6O2S — CID 67101530

IUPAC4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3ccc(-c4ccc5cn[nH]c5c4)cc3n2)cc1
InChIInChI=1S/C21H16N6O2S/c22-30(28,29)18-7-5-17(6-8-18)25-21-23-11-15-3-1-13(9-19(15)26-21)14-2-4-16-12-24-27-20(16)10-14/h1-12H,(H,24,27)(H2,22,28,29)(H,23,25,26)
InChIKeyRXXGFRRSOWZYPM-UHFFFAOYSA-N
MW416.47 g/mol
LogP3.56
Rot. Bonds4

About 4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide

4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide (PubChem CID 67101530) has the molecular formula C21H16N6O2S and a molecular weight of 416.47 g/mol. Its IUPAC name is 4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide
PubChem CID67101530
Molecular FormulaC21H16N6O2S
Molecular Weight416.47 g/mol
Exact Mass416.11
IUPAC Name4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3ccc(-c4ccc5cn[nH]c5c4)cc3n2)cc1
InChIInChI=1S/C21H16N6O2S/c22-30(28,29)18-7-5-17(6-8-18)25-21-23-11-15-3-1-13(9-19(15)26-21)14-2-4-16-12-24-27-20(16)10-14/h1-12H,(H,24,27)(H2,22,28,29)(H,23,25,26)
InChIKeyRXXGFRRSOWZYPM-UHFFFAOYSA-N
XLogP3.56
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide
CID 67102027
4-[[7-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101887
4-[[7-(5-chloro-2-methoxy-4-pyridinyl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67102551
4-[[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 25195908
4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide
CID 67102003
4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67102048
2-(1H-indazol-6-yl)-7-nitroquinazoline
CID 170422945
1H-indazole-6-sulfonyl fluoride
CID 71925828
1H-indazole-5-sulfonamide
CID 22567171
N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide
CID 25017565
4-[[6-(3-phenylphenyl)-7H-purin-2-yl]amino]benzenesulfonamide
CID 123132899
4-[[7-(1,2-oxazol-4-yl)quinazolin-2-yl]amino]benzenesulfinamide
CID 143558628

Frequently Asked Questions

What is the IUPAC name of 4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide (CID 67101530) is 4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncc3ccc(-c4ccc5cn[nH]c5c4)cc3n2)cc1.
What is the InChIKey of 4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide?
The InChIKey is RXXGFRRSOWZYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N6O2S/c22-30(28,29)18-7-5-17(6-8-18)25-21-23-11-15-3-1-13(9-19(15)26-21)14-2-4-16-12-24-27-20(16)10-14/h1-12H,(H,24,27)(H2,22,28,29)(H,23,25,26).
What are the key properties of 4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide?
4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide has a molecular weight of 416.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 67101530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).