4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide

C14H11BrN4O3S — CID 67102003

IUPAC4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3ccc(Br)c(O)c3n2)cc1
InChIInChI=1S/C14H11BrN4O3S/c15-11-6-1-8-7-17-14(19-12(8)13(11)20)18-9-2-4-10(5-3-9)23(16,21)22/h1-7,20H,(H2,16,21,22)(H,17,18,19)
InChIKeyZZGAAAWVBRUTNW-UHFFFAOYSA-N
MW395.24 g/mol
LogP2.49
Rot. Bonds3

About 4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide

4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide (PubChem CID 67102003) has the molecular formula C14H11BrN4O3S and a molecular weight of 395.24 g/mol. Its IUPAC name is 4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide
PubChem CID67102003
Molecular FormulaC14H11BrN4O3S
Molecular Weight395.24 g/mol
Exact Mass393.97
IUPAC Name4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2ncc3ccc(Br)c(O)c3n2)cc1
InChIInChI=1S/C14H11BrN4O3S/c15-11-6-1-8-7-17-14(19-12(8)13(11)20)18-9-2-4-10(5-3-9)23(16,21)22/h1-7,20H,(H2,16,21,22)(H,17,18,19)
InChIKeyZZGAAAWVBRUTNW-UHFFFAOYSA-N
XLogP2.49
TPSA118.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.24
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[5-bromo-4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 58751569
2-[[5-bromo-2-(4-sulfamoylanilino)pyrimidin-4-yl]amino]-3-methylbutanoic acid
CID 68897781
4-[[8-(1H-pyrazol-4-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67102048
4-[[5-bromo-4-[[(2R)-1-hydroxypropan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide;hydrochloride
CID 131801086
4-[[5-bromo-4-[[(2R)-3-hydroxy-3-methylbutan-2-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 71732381
N-cyclopropyl-2-(4-sulfamoylanilino)quinazoline-6-carboxamide
CID 25017565
5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide
CID 67102027
4-[[5-bromo-4-[(2-hydroxy-1-methoxyethyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58751557
4-[[5-bromo-4-[[(3S)-oxolan-3-yl]amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58891201
N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2-(4-sulfamoylanilino)quinazoline-8-carboxamide
CID 67102077
4-[[5-bromo-4-[(4-fluorophenyl)methylamino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 58890879
4-[[7-(1H-indazol-6-yl)quinazolin-2-yl]amino]benzenesulfonamide
CID 67101530

Frequently Asked Questions

What is the IUPAC name of 4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide?
The IUPAC name of 4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide (CID 67102003) is 4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2ncc3ccc(Br)c(O)c3n2)cc1.
What is the InChIKey of 4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide?
The InChIKey is ZZGAAAWVBRUTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O3S/c15-11-6-1-8-7-17-14(19-12(8)13(11)20)18-9-2-4-10(5-3-9)23(16,21)22/h1-7,20H,(H2,16,21,22)(H,17,18,19).
What are the key properties of 4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide?
4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide has a molecular weight of 395.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-bromo-8-hydroxyquinazolin-2-yl)amino]benzenesulfonamide is sourced from PubChem (CID 67102003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).