N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide

C21H14Cl2N4O2S — CID 91717870

IUPACN-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(/N=N/c2cc(Cl)ccc2Cl)c2cccnc12)c1ccccc1
InChIInChI=1S/C21H14Cl2N4O2S/c22-14-8-9-17(23)20(13-14)26-25-18-10-11-19(21-16(18)7-4-12-24-21)27-30(28,29)15-5-2-1-3-6-15/h1-13,27H/b26-25+
InChIKeyIZQPQKWKUYIWDO-OCEACIFDSA-N
MW457.34 g/mol
LogP6.76
Rot. Bonds5

About N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide

N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide (PubChem CID 91717870) has the molecular formula C21H14Cl2N4O2S and a molecular weight of 457.34 g/mol. Its IUPAC name is N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide
PubChem CID91717870
Molecular FormulaC21H14Cl2N4O2S
Molecular Weight457.34 g/mol
Exact Mass456.02
IUPAC NameN-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(/N=N/c2cc(Cl)ccc2Cl)c2cccnc12)c1ccccc1
InChIInChI=1S/C21H14Cl2N4O2S/c22-14-8-9-17(23)20(13-14)26-25-18-10-11-19(21-16(18)7-4-12-24-21)27-30(28,29)15-5-2-1-3-6-15/h1-13,27H/b26-25+
InChIKeyIZQPQKWKUYIWDO-OCEACIFDSA-N
XLogP6.76
TPSA83.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.34
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]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

N-(8-aminoquinolin-5-yl)benzenesulfonamide
CID 104826550
4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide
CID 2318680
5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 16638548
N-[4-chloro-2-(methanesulfonamido)phenyl]benzenesulfonamide
CID 134879213
N-(5-bromoquinolin-8-yl)-4-methylbenzenesulfonamide
CID 1380885
2-amino-N-(2,5-dichlorophenyl)pyridine-3-sulfonamide
CID 55044124
N-benzo[h]quinolin-4-ylbenzenesulfonamide
CID 46307991
N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide
CID 102692686
N-[6-(2,4-dichloroanilino)pyridazin-3-yl]benzenesulfonamide
CID 113050807
N-(5-bromo-2-chlorophenyl)benzenesulfonamide
CID 62909796
3-chloro-N-(2,4-dichlorophenyl)benzenesulfonamide
CID 26952629

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide?
The IUPAC name of N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide (CID 91717870) is N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide?
The canonical SMILES for N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide is O=S(=O)(Nc1ccc(/N=N/c2cc(Cl)ccc2Cl)c2cccnc12)c1ccccc1.
What is the InChIKey of N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide?
The InChIKey is IZQPQKWKUYIWDO-OCEACIFDSA-N. The full InChI is InChI=1S/C21H14Cl2N4O2S/c22-14-8-9-17(23)20(13-14)26-25-18-10-11-19(21-16(18)7-4-12-24-21)27-30(28,29)15-5-2-1-3-6-15/h1-13,27H/b26-25+.
What are the key properties of N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide?
N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide has a molecular weight of 457.34 g/mol, XLogP of 6.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-dichlorophenyl)diazenyl]quinolin-8-yl]benzenesulfonamide is sourced from PubChem (CID 91717870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).