5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline

C27H21N3O2S — CID 134852166

IUPAC5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline
SMILESCc1ccc(S(=O)(=O)N2Cc3c(n[nH]c3-c3cccc4ccccc34)-c3ccccc32)cc1
InChIInChI=1S/C27H21N3O2S/c1-18-13-15-20(16-14-18)33(31,32)30-17-24-26(22-11-6-8-19-7-2-3-9-21(19)22)28-29-27(24)23-10-4-5-12-25(23)30/h2-16H,17H2,1H3,(H,28,29)
InChIKeyLDGCUJZORAJHAP-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.91
Rot. Bonds3

About 5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline

5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline (PubChem CID 134852166) has the molecular formula C27H21N3O2S and a molecular weight of 451.55 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline
PubChem CID134852166
Molecular FormulaC27H21N3O2S
Molecular Weight451.55 g/mol
Exact Mass451.14
IUPAC Name5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline
SMILESCc1ccc(S(=O)(=O)N2Cc3c(n[nH]c3-c3cccc4ccccc34)-c3ccccc32)cc1
InChIInChI=1S/C27H21N3O2S/c1-18-13-15-20(16-14-18)33(31,32)30-17-24-26(22-11-6-8-19-7-2-3-9-21(19)22)28-29-27(24)23-10-4-5-12-25(23)30/h2-16H,17H2,1H3,(H,28,29)
InChIKeyLDGCUJZORAJHAP-UHFFFAOYSA-N
XLogP5.91
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid
CID 68974373
5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline
CID 12597587
methyl 4-[5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-3-yl]benzoate
CID 134852454
3-(difluoromethylidene)-1-(4-methylphenyl)sulfonyl-2H-indole
CID 101186330
ethyl 1-methyl-5-(4-methylphenyl)sulfonyl-4H-pyrazolo[4,5-c]quinoline-3-carboxylate
CID 67505477
7-(4-methylphenyl)sulfonyl-5,6-dihydropyrimido[5,4-d][1]benzazepin-2-amine
CID 130249292
1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-6,1-benzoxazonin-7-one
CID 102529621
2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine
CID 56927367
3,6-bis-(4-methylphenyl)sulfonyl-3,6,12-triazabicyclo[6.3.1]dodeca-1(12),8,10-triene
CID 15069694
(4Z)-4-(hydroxymethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one
CID 44723400
CID 177389988
CID 177389988
3-iodo-1-(4-methylphenyl)sulfonyl-4-thiophen-3-yl-2H-quinoline
CID 86053256

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline (CID 134852166) is 5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline is Cc1ccc(S(=O)(=O)N2Cc3c(n[nH]c3-c3cccc4ccccc34)-c3ccccc32)cc1.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline?
The InChIKey is LDGCUJZORAJHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O2S/c1-18-13-15-20(16-14-18)33(31,32)30-17-24-26(22-11-6-8-19-7-2-3-9-21(19)22)28-29-27(24)23-10-4-5-12-25(23)30/h2-16H,17H2,1H3,(H,28,29).
What are the key properties of 5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline?
5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline has a molecular weight of 451.55 g/mol, XLogP of 5.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline is sourced from PubChem (CID 134852166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).