5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine

C96H100ClFN14O8S4 — CID 157287315

IUPAC5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine
SMILESCc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc(Cl)c3ncccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3c(N)nccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3nc(N)ccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2F)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H24ClN3O2S.C24H24FN3O2S.2C24H26N4O2S/c1-16-14-18(15-31(29,30)19-9-7-17(8-10-19)24(2,3)4)28(27-16)22-12-11-21(25)23-20(22)6-5-13-26-23;1-16-13-18(28(27-16)22-9-5-8-21-19(22)7-6-12-26-21)15-31(29,30)23-11-10-17(14-20(23)25)24(2,3)4;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-26-23(21)25;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-23(25)26-21/h2*5-14H,15H2,1-4H3;2*5-14H,15H2,1-4H3,(H2,25,26)
InChIKeyBAJRNGLZODVEOW-UHFFFAOYSA-N
MW1760.66 g/mol
LogP19.96
Rot. Bonds16

About 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine

5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine (PubChem CID 157287315) has the molecular formula C96H100ClFN14O8S4 and a molecular weight of 1760.66 g/mol. Its IUPAC name is 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine.

Molecular Properties

Compound Name5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine
PubChem CID157287315
Molecular FormulaC96H100ClFN14O8S4
Molecular Weight1760.66 g/mol
Exact Mass1758.64
IUPAC Name5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine
SMILESCc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc(Cl)c3ncccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3c(N)nccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3nc(N)ccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2F)n(-c2cccc3ncccc23)n1
InChIInChI=1S/C24H24ClN3O2S.C24H24FN3O2S.2C24H26N4O2S/c1-16-14-18(15-31(29,30)19-9-7-17(8-10-19)24(2,3)4)28(27-16)22-12-11-21(25)23-20(22)6-5-13-26-23;1-16-13-18(28(27-16)22-9-5-8-21-19(22)7-6-12-26-21)15-31(29,30)23-11-10-17(14-20(23)25)24(2,3)4;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-26-23(21)25;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-23(25)26-21/h2*5-14H,15H2,1-4H3;2*5-14H,15H2,1-4H3,(H2,25,26)
InChIKeyBAJRNGLZODVEOW-UHFFFAOYSA-N
XLogP19.96
TPSA311.44 Ų
H-Bond Donors2
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001760.66
LogP ≤ 519.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1022

Analyze 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine?
The IUPAC name of 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine (CID 157287315) is 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine.
What is the SMILES notation for 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine?
The canonical SMILES for 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine is Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2ccc(Cl)c3ncccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3c(N)nccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)n(-c2cccc3nc(N)ccc23)n1.Cc1cc(CS(=O)(=O)c2ccc(C(C)(C)C)cc2F)n(-c2cccc3ncccc23)n1.
What is the InChIKey of 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine?
The InChIKey is BAJRNGLZODVEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O2S.C24H24FN3O2S.2C24H26N4O2S/c1-16-14-18(15-31(29,30)19-9-7-17(8-10-19)24(2,3)4)28(27-16)22-12-11-21(25)23-20(22)6-5-13-26-23;1-16-13-18(28(27-16)22-9-5-8-21-19(22)7-6-12-26-21)15-31(29,30)23-11-10-17(14-20(23)25)24(2,3)4;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-26-23(21)25;1-16-14-18(15-31(29,30)19-10-8-17(9-11-19)24(2,3)4)28(27-16)22-7-5-6-21-20(22)12-13-23(25)26-21/h2*5-14H,15H2,1-4H3;2*5-14H,15H2,1-4H3,(H2,25,26).
What are the key properties of 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine?
5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine has a molecular weight of 1760.66 g/mol, XLogP of 19.96, 16 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4-tert-butyl-2-fluorophenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-8-chloroquinoline;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;5-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine is sourced from PubChem (CID 157287315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).