6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol

C23H28N2O3S — CID 132544804

IUPAC6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CC(O)(c3ccccc3)CC(C3CCCCC3)=N2)cc1
InChIInChI=1S/C23H28N2O3S/c1-18-12-14-21(15-13-18)29(27,28)25-17-23(26,20-10-6-3-7-11-20)16-22(24-25)19-8-4-2-5-9-19/h3,6-7,10-15,19,26H,2,4-5,8-9,16-17H2,1H3
InChIKeyRFXQLYHQHPDALD-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.21
Rot. Bonds4

About 6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol

6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol (PubChem CID 132544804) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is 6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol.

Molecular Properties

Compound Name6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol
PubChem CID132544804
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol
SMILESCc1ccc(S(=O)(=O)N2CC(O)(c3ccccc3)CC(C3CCCCC3)=N2)cc1
InChIInChI=1S/C23H28N2O3S/c1-18-12-14-21(15-13-18)29(27,28)25-17-23(26,20-10-6-3-7-11-20)16-22(24-25)19-8-4-2-5-9-19/h3,6-7,10-15,19,26H,2,4-5,8-9,16-17H2,1H3
InChIKeyRFXQLYHQHPDALD-UHFFFAOYSA-N
XLogP4.21
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4R)-4-hydroxy-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine-2-carboxylate
CID 15386103
(1R,5S)-6-(4-methylphenyl)sulfonyl-1-phenyl-8-oxa-6-azabicyclo[3.2.1]octane
CID 122216426
1-[(1S,5S,6S)-3-(4-methylphenyl)sulfonyl-1-phenyl-3-azabicyclo[3.1.0]hexan-6-yl]ethanone
CID 139093823
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
2-ethenyl-1-(4-methylphenyl)sulfonyl-4,4-diphenylpyrrolidine
CID 77140020
3,6,9-tris-(4-methylphenyl)sulfonyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonane
CID 12599628
1-(4-methylphenyl)sulfonyl-5,6a-diphenyl-3,3a,4,6-tetrahydro-2H-pyrrolo[3,4-b]pyrrole
CID 76517385
1-(4-methylphenyl)sulfonyl-3,3-diphenyl-2,3a,4,5,6,8a-hexahydrocyclohepta[b]pyrrole
CID 135007622
(2S,3aR)-3-(4-methylphenyl)sulfonyl-2-phenyl-2,3a,4,5,6,7-hexahydrobenzimidazole
CID 11588419
(7aS)-2-(4-methylphenyl)sulfonyl-6,6-diphenyl-3,5,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazole
CID 102593211
3,5-dimethyl-6-(4-methylphenyl)sulfonyl-1-phenyl-6-azabicyclo[3.2.1]oct-3-ene
CID 101441669
(1S,5R)-3-(4-methylphenyl)sulfonyl-1-phenyl-6-oxa-3-azabicyclo[3.1.0]hexane
CID 134928061

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol?
The IUPAC name of 6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol (CID 132544804) is 6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol.
What is the SMILES notation for 6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol?
The canonical SMILES for 6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol is Cc1ccc(S(=O)(=O)N2CC(O)(c3ccccc3)CC(C3CCCCC3)=N2)cc1.
What is the InChIKey of 6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol?
The InChIKey is RFXQLYHQHPDALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-18-12-14-21(15-13-18)29(27,28)25-17-23(26,20-10-6-3-7-11-20)16-22(24-25)19-8-4-2-5-9-19/h3,6-7,10-15,19,26H,2,4-5,8-9,16-17H2,1H3.
What are the key properties of 6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol?
6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol has a molecular weight of 412.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-(4-methylphenyl)sulfonyl-4-phenyl-3,5-dihydropyridazin-4-ol is sourced from PubChem (CID 132544804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).