5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline

C18H17N3O2S2 — CID 12597587

IUPAC5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCSc1n[nH]c2c1CN(S(=O)(=O)c1ccc(C)cc1)c1ccccc1-2
InChIInChI=1S/C18H17N3O2S2/c1-12-7-9-13(10-8-12)25(22,23)21-11-15-17(19-20-18(15)24-2)14-5-3-4-6-16(14)21/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyNZXPFZGACRTWOT-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.82
Rot. Bonds3

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

5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline (PubChem CID 12597587) has the molecular formula C18H17N3O2S2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline.

Molecular Properties

Compound Name5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline
PubChem CID12597587
Molecular FormulaC18H17N3O2S2
Molecular Weight371.49 g/mol
Exact Mass371.08
IUPAC Name5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline
SMILESCSc1n[nH]c2c1CN(S(=O)(=O)c1ccc(C)cc1)c1ccccc1-2
InChIInChI=1S/C18H17N3O2S2/c1-12-7-9-13(10-8-12)25(22,23)21-11-15-17(19-20-18(15)24-2)14-5-3-4-6-16(14)21/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyNZXPFZGACRTWOT-UHFFFAOYSA-N
XLogP3.82
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methylphenyl)sulfonyl-3-naphthalen-1-yl-2,4-dihydropyrazolo[4,3-c]quinoline
CID 134852166
methyl 4-[5-(4-methylphenyl)sulfonyl-1,4-dihydropyrazolo[4,5-c]quinolin-3-yl]benzoate
CID 134852454
5-(4-methylphenyl)sulfonyl-2,4-dihydropyrazolo[4,3-c]quinoline-3-carboxylic acid
CID 68974373
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
2-chloro-5-(4-methylphenyl)sulfonyl-6H-phenanthridine
CID 56927367
(4Z)-4-(hydroxymethylidene)-1-(4-methylphenyl)sulfonyl-2,3-dihydro-1-benzazepin-5-one
CID 44723400
3-iodo-1-(4-methylphenyl)sulfonyl-4-thiophen-3-yl-2H-quinoline
CID 86053256
1-(4-methylphenyl)sulfonyl-3-phenyl-2H-quinoline
CID 175302706
N-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-imine
CID 10520340
1-(4-methylphenyl)sulfonyl-2,3,4,5-tetrahydro-6,1-benzoxazonin-7-one
CID 102529621
1-(4-bromophenyl)sulfonyl-2H-indol-3-one
CID 102600373

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The IUPAC name of 5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline (CID 12597587) is 5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline.
What is the SMILES notation for 5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The canonical SMILES for 5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline is CSc1n[nH]c2c1CN(S(=O)(=O)c1ccc(C)cc1)c1ccccc1-2.
What is the InChIKey of 5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline?
The InChIKey is NZXPFZGACRTWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S2/c1-12-7-9-13(10-8-12)25(22,23)21-11-15-17(19-20-18(15)24-2)14-5-3-4-6-16(14)21/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of 5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline?
5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline has a molecular weight of 371.49 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)sulfonyl-3-methylsulfanyl-1,4-dihydropyrazolo[4,5-c]quinoline is sourced from PubChem (CID 12597587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).