1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole

C87H88ClF11N10O9S4 — CID 160883375

IUPAC1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole
SMILESCc1cccc(S(=O)(=O)n2cc(C(F)F)c3c(N4CCN(C5CCC5)CC4)cccc32)c1.Cc1cccc(S(=O)(=O)n2cc(C(F)F)c3c(N4CCN(C5COC5)CC4)cccc32)c1.O=S(=O)(c1ccccc1Cl)n1cc(C(F)(F)F)c2c(N3CCCCC3)cccc21.O=S(=O)(c1ccccc1F)n1cc(C(F)(F)F)c2c(N3CCCCC3)cccc21
InChIInChI=1S/C24H27F2N3O2S.C23H25F2N3O3S.C20H18ClF3N2O2S.C20H18F4N2O2S/c1-17-5-2-8-19(15-17)32(30,31)29-16-20(24(25)26)23-21(9-4-10-22(23)29)28-13-11-27(12-14-28)18-6-3-7-18;1-16-4-2-5-18(12-16)32(29,30)28-13-19(23(24)25)22-20(6-3-7-21(22)28)27-10-8-26(9-11-27)17-14-31-15-17;2*21-15-7-2-3-10-18(15)29(27,28)26-13-14(20(22,23)24)19-16(8-6-9-17(19)26)25-11-4-1-5-12-25/h2,4-5,8-10,15-16,18,24H,3,6-7,11-14H2,1H3;2-7,12-13,17,23H,8-11,14-15H2,1H3;2*2-3,6-10,13H,1,4-5,11-12H2
InChIKeySNHWXAVWMOLHAU-UHFFFAOYSA-N
MW1790.42 g/mol
LogP19.01
Rot. Bonds16

About 1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole

1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole (PubChem CID 160883375) has the molecular formula C87H88ClF11N10O9S4 and a molecular weight of 1790.42 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole
PubChem CID160883375
Molecular FormulaC87H88ClF11N10O9S4
Molecular Weight1790.42 g/mol
Exact Mass1788.51
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole
SMILESCc1cccc(S(=O)(=O)n2cc(C(F)F)c3c(N4CCN(C5CCC5)CC4)cccc32)c1.Cc1cccc(S(=O)(=O)n2cc(C(F)F)c3c(N4CCN(C5COC5)CC4)cccc32)c1.O=S(=O)(c1ccccc1Cl)n1cc(C(F)(F)F)c2c(N3CCCCC3)cccc21.O=S(=O)(c1ccccc1F)n1cc(C(F)(F)F)c2c(N3CCCCC3)cccc21
InChIInChI=1S/C24H27F2N3O2S.C23H25F2N3O3S.C20H18ClF3N2O2S.C20H18F4N2O2S/c1-17-5-2-8-19(15-17)32(30,31)29-16-20(24(25)26)23-21(9-4-10-22(23)29)28-13-11-27(12-14-28)18-6-3-7-18;1-16-4-2-5-18(12-16)32(29,30)28-13-19(23(24)25)22-20(6-3-7-21(22)28)27-10-8-26(9-11-27)17-14-31-15-17;2*21-15-7-2-3-10-18(15)29(27,28)26-13-14(20(22,23)24)19-16(8-6-9-17(19)26)25-11-4-1-5-12-25/h2,4-5,8-10,15-16,18,24H,3,6-7,11-14H2,1H3;2-7,12-13,17,23H,8-11,14-15H2,1H3;2*2-3,6-10,13H,1,4-5,11-12H2
InChIKeySNHWXAVWMOLHAU-UHFFFAOYSA-N
XLogP19.01
TPSA184.95 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001790.42
LogP ≤ 519.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole (CID 160883375) is 1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole is Cc1cccc(S(=O)(=O)n2cc(C(F)F)c3c(N4CCN(C5CCC5)CC4)cccc32)c1.Cc1cccc(S(=O)(=O)n2cc(C(F)F)c3c(N4CCN(C5COC5)CC4)cccc32)c1.O=S(=O)(c1ccccc1Cl)n1cc(C(F)(F)F)c2c(N3CCCCC3)cccc21.O=S(=O)(c1ccccc1F)n1cc(C(F)(F)F)c2c(N3CCCCC3)cccc21.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole?
The InChIKey is SNHWXAVWMOLHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O2S.C23H25F2N3O3S.C20H18ClF3N2O2S.C20H18F4N2O2S/c1-17-5-2-8-19(15-17)32(30,31)29-16-20(24(25)26)23-21(9-4-10-22(23)29)28-13-11-27(12-14-28)18-6-3-7-18;1-16-4-2-5-18(12-16)32(29,30)28-13-19(23(24)25)22-20(6-3-7-21(22)28)27-10-8-26(9-11-27)17-14-31-15-17;2*21-15-7-2-3-10-18(15)29(27,28)26-13-14(20(22,23)24)19-16(8-6-9-17(19)26)25-11-4-1-5-12-25/h2,4-5,8-10,15-16,18,24H,3,6-7,11-14H2,1H3;2-7,12-13,17,23H,8-11,14-15H2,1H3;2*2-3,6-10,13H,1,4-5,11-12H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole?
1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole has a molecular weight of 1790.42 g/mol, XLogP of 19.01, 16 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole;4-(4-cyclobutylpiperazin-1-yl)-3-(difluoromethyl)-1-(3-methylphenyl)sulfonylindole;3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-4-[4-(oxetan-3-yl)piperazin-1-yl]indole;1-(2-fluorophenyl)sulfonyl-4-piperidin-1-yl-3-(trifluoromethyl)indole is sourced from PubChem (CID 160883375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).