3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene

C109H112Cl2F2N18O12S12 — CID 158102612

About 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene

3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene (PubChem CID 158102612) has the molecular formula C109H112Cl2F2N18O12S12 and a molecular weight of 2359.91 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene.

Molecular Properties

• Compound Name: 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene
• PubChem CID: 158102612
• Molecular Formula: C109H112Cl2F2N18O12S12
• Molecular Weight: 2359.91 g/mol
• Exact Mass: 2356.47
• IUPAC Name: 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene
• SMILES: CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1)CCCC3.CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1)CCCC3.CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1cccc(F)c1)CCCC3.CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCCC3.CSc1nn2c3c(cnc2c1S(=O)(=O)c1cccc(C)c1)CCCCC3.CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCCC3
• InChI: InChI=1S/C19H21N3O2S2.C18H17ClFN3O2S2.C18H18ClN3O2S2.C18H18FN3O2S2.2C18H19N3O2S2/c1-13-7-6-9-15(11-13)26(23,24)17-18-20-12-14-8-4-3-5-10-16(14)22(18)21-19(17)25-2;1-10-12-5-3-4-6-15(12)23-17(21-10)16(18(22-23)26-2)27(24,25)11-7-8-14(20)13(19)9-11;2*1-11-14-8-3-4-9-15(14)22-17(20-11)16(18(21-22)25-2)26(23,24)13-7-5-6-12(19)10-13;1-12-14-10-6-7-11-15(14)21-17(19-12)16(18(20-21)24-2)25(22,23)13-8-4-3-5-9-13;1-24-18-16(25(22,23)14-9-5-3-6-10-14)17-19-12-13-8-4-2-7-11-15(13)21(17)20-18/h6-7,9,11-12H,3-5,8,10H2,1-2H3;7-9H,3-6H2,1-2H3;2*5-7,10H,3-4,8-9H2,1-2H3;3-5,8-9H,6-7,10-11H2,1-2H3;3,5-6,9-10,12H,2,4,7-8,11H2,1H3
• InChIKey: FPLGNLWNUCFIMF-UHFFFAOYSA-N
• XLogP: 22.88
• TPSA: 385.98 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 18
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2359.91
LogP ≤ 5	22.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene?

The IUPAC name of 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene (CID 158102612) is 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene.

What is the SMILES notation for 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene?

The canonical SMILES for 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene is CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccc(F)c(Cl)c1)CCCC3.CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1cccc(Cl)c1)CCCC3.CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1cccc(F)c1)CCCC3.CSc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCCC3.CSc1nn2c3c(cnc2c1S(=O)(=O)c1cccc(C)c1)CCCCC3.CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCCCC3.

What is the InChIKey of 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene?

The InChIKey is FPLGNLWNUCFIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S2.C18H17ClFN3O2S2.C18H18ClN3O2S2.C18H18FN3O2S2.2C18H19N3O2S2/c1-13-7-6-9-15(11-13)26(23,24)17-18-20-12-14-8-4-3-5-10-16(14)22(18)21-19(17)25-2;1-10-12-5-3-4-6-15(12)23-17(21-10)16(18(22-23)26-2)27(24,25)11-7-8-14(20)13(19)9-11;2*1-11-14-8-3-4-9-15(14)22-17(20-11)16(18(21-22)25-2)26(23,24)13-7-5-6-12(19)10-13;1-12-14-10-6-7-11-15(14)21-17(19-12)16(18(20-21)24-2)25(22,23)13-8-4-3-5-9-13;1-24-18-16(25(22,23)14-9-5-3-6-10-14)17-19-12-13-8-4-2-7-11-15(13)21(17)20-18/h6-7,9,11-12H,3-5,8,10H2,1-2H3;7-9H,3-6H2,1-2H3;2*5-7,10H,3-4,8-9H2,1-2H3;3-5,8-9H,6-7,10-11H2,1-2H3;3,5-6,9-10,12H,2,4,7-8,11H2,1H3.

What are the key properties of 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene?

3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene has a molecular weight of 2359.91 g/mol, XLogP of 22.88, 18 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzenesulfonyl)-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(benzenesulfonyl)-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene;3-(3-chloro-4-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-chlorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;3-(3-fluorophenyl)sulfonyl-5-methyl-2-methylsulfanyl-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline;5-(3-methylphenyl)sulfonyl-4-methylsulfanyl-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene is sourced from PubChem (CID 158102612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).