6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine

C16H14ClN3O4S — CID 21479616

IUPAC6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C16H14ClN3O4S/c17-13-5-3-12(4-6-13)16-2-1-11-19(18-16)25(23,24)15-9-7-14(8-10-15)20(21)22/h3-10H,1-2,11H2
InChIKeyHOSJYRYRQCPSHL-UHFFFAOYSA-N
MW379.83 g/mol
LogP3.44
Rot. Bonds4

About 6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine

6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine (PubChem CID 21479616) has the molecular formula C16H14ClN3O4S and a molecular weight of 379.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine
PubChem CID21479616
Molecular FormulaC16H14ClN3O4S
Molecular Weight379.83 g/mol
Exact Mass379.04
IUPAC Name6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC(c3ccc(Cl)cc3)=N2)cc1
InChIInChI=1S/C16H14ClN3O4S/c17-13-5-3-12(4-6-13)16-2-1-11-19(18-16)25(23,24)15-9-7-14(8-10-15)20(21)22/h3-10H,1-2,11H2
InChIKeyHOSJYRYRQCPSHL-UHFFFAOYSA-N
XLogP3.44
TPSA92.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.83
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine 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

CID 70381437
CID 70381437
[(5R)-3-(4-chlorophenyl)-5-hydroxy-5-methyl-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone
CID 1095421
2-(4-chlorophenyl)sulfonyl-1-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]ethanone
CID 24559671
1-(2-chloro-4-nitrophenyl)-4-(4-chlorophenyl)sulfonylpiperazine
CID 2855419
(2R)-2-(bromomethyl)-2-(4-chlorophenyl)-1-(4-nitrophenyl)sulfonylpyrrolidine
CID 53392903
1-chloro-4-nitrobenzene;ethane
CID 90737802
1-(4-nitrophenyl)sulfonylpiperidin-2-one
CID 53406269
(4-nitrophenyl)methyl (2S)-1-(4-chlorophenyl)sulfonylpyrrolidine-2-carboxylate
CID 1077245
6-(4-chlorophenyl)-3-methyl-1-(4-nitrophenyl)-4,5-dihydropyrazolo[5,4-b]pyridine
CID 10713973
N-[4-[(3R)-2-(4-chlorophenyl)sulfonyl-3-(3-nitrophenyl)-3,4-dihydropyrazol-5-yl]phenyl]methanesulfonamide
CID 98142426
5-(4-chlorophenyl)-1-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole
CID 10451628
5-(4-nitrophenyl)-2-(3-phenylphenyl)-3,4-dihydropyrazole
CID 174581251

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
The IUPAC name of 6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine (CID 21479616) is 6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
The canonical SMILES for 6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine is O=[N+]([O-])c1ccc(S(=O)(=O)N2CCCC(c3ccc(Cl)cc3)=N2)cc1.
What is the InChIKey of 6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
The InChIKey is HOSJYRYRQCPSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4S/c17-13-5-3-12(4-6-13)16-2-1-11-19(18-16)25(23,24)15-9-7-14(8-10-15)20(21)22/h3-10H,1-2,11H2.
What are the key properties of 6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine?
6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine has a molecular weight of 379.83 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(4-nitrophenyl)sulfonyl-4,5-dihydro-3H-pyridazine is sourced from PubChem (CID 21479616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).