4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

C68H73F6N3O6S3 — CID 158085640

IUPAC4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(C3=CCc4c(C)cccc43)CC2)cc1.Cc1cccc2c1CC=C2C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.Cc1cccc2c1CC=C2C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H29NO2S.2C22H22F3NO2S/c1-3-5-19-8-10-21(11-9-19)28(26,27)25-16-14-20(15-17-25)23-13-12-22-18(2)6-4-7-24(22)23;1-15-4-2-7-21-19(15)8-9-20(21)16-10-12-26(13-11-16)29(27,28)18-6-3-5-17(14-18)22(23,24)25;1-15-5-4-6-19-17(15)9-10-18(19)16-11-13-26(14-12-16)29(27,28)21-8-3-2-7-20(21)22(23,24)25/h4,6-11,13,20H,3,5,12,14-17H2,1-2H3;2-7,9,14,16H,8,10-13H2,1H3;2-8,10,16H,9,11-14H2,1H3
InChIKeyFNMCQGHZTGGNSB-UHFFFAOYSA-N
MW1238.54 g/mol
LogP15.10
Rot. Bonds11

About 4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine

4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (PubChem CID 158085640) has the molecular formula C68H73F6N3O6S3 and a molecular weight of 1238.54 g/mol. Its IUPAC name is 4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.

Molecular Properties

Compound Name4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
PubChem CID158085640
Molecular FormulaC68H73F6N3O6S3
Molecular Weight1238.54 g/mol
Exact Mass1237.46
IUPAC Name4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine
SMILESCCCc1ccc(S(=O)(=O)N2CCC(C3=CCc4c(C)cccc43)CC2)cc1.Cc1cccc2c1CC=C2C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.Cc1cccc2c1CC=C2C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C24H29NO2S.2C22H22F3NO2S/c1-3-5-19-8-10-21(11-9-19)28(26,27)25-16-14-20(15-17-25)23-13-12-22-18(2)6-4-7-24(22)23;1-15-4-2-7-21-19(15)8-9-20(21)16-10-12-26(13-11-16)29(27,28)18-6-3-5-17(14-18)22(23,24)25;1-15-5-4-6-19-17(15)9-10-18(19)16-11-13-26(14-12-16)29(27,28)21-8-3-2-7-20(21)22(23,24)25/h4,6-11,13,20H,3,5,12,14-17H2,1-2H3;2-7,9,14,16H,8,10-13H2,1H3;2-8,10,16H,9,11-14H2,1H3
InChIKeyFNMCQGHZTGGNSB-UHFFFAOYSA-N
XLogP15.10
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001238.54
LogP ≤ 515.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The IUPAC name of 4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine (CID 158085640) is 4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine.
What is the SMILES notation for 4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The canonical SMILES for 4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is CCCc1ccc(S(=O)(=O)N2CCC(C3=CCc4c(C)cccc43)CC2)cc1.Cc1cccc2c1CC=C2C1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.Cc1cccc2c1CC=C2C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
The InChIKey is FNMCQGHZTGGNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO2S.2C22H22F3NO2S/c1-3-5-19-8-10-21(11-9-19)28(26,27)25-16-14-20(15-17-25)23-13-12-22-18(2)6-4-7-24(22)23;1-15-4-2-7-21-19(15)8-9-20(21)16-10-12-26(13-11-16)29(27,28)18-6-3-5-17(14-18)22(23,24)25;1-15-5-4-6-19-17(15)9-10-18(19)16-11-13-26(14-12-16)29(27,28)21-8-3-2-7-20(21)22(23,24)25/h4,6-11,13,20H,3,5,12,14-17H2,1-2H3;2-7,9,14,16H,8,10-13H2,1H3;2-8,10,16H,9,11-14H2,1H3.
What are the key properties of 4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine?
4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine has a molecular weight of 1238.54 g/mol, XLogP of 15.10, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-3H-inden-1-yl)-1-(4-propylphenyl)sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine;4-(4-methyl-3H-inden-1-yl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine is sourced from PubChem (CID 158085640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).