3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine

C85H91BrCl5N7O9S4 — CID 160772922

IUPAC3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine
SMILESCCc1cc(Br)ccc1S(=O)(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1.Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)c2c1.Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)c2c1.Cc1cccc2c1CC=C2C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H25BrN2O3S.C21H22Cl2N2O2S.C21H21Cl2NO2S.C21H23ClN2O2S/c1-3-15-12-17(23)4-7-22(15)29(26,27)25-10-8-16(9-11-25)20-14-24-21-6-5-18(28-2)13-19(20)21;1-13-3-4-20-16(9-13)17(12-24-20)15-5-7-25(8-6-15)28(26,27)21-10-14(2)18(22)11-19(21)23;1-14-3-2-4-21-19(14)5-6-20(21)15-7-9-24(10-8-15)27(25,26)18-12-16(22)11-17(23)13-18;1-14-6-7-20-17(12-14)18(13-23-20)16-8-10-24(11-9-16)27(25,26)21-5-3-4-19(22)15(21)2/h4-7,12-14,16,24H,3,8-11H2,1-2H3;3-4,9-12,15,24H,5-8H2,1-2H3;2-4,6,11-13,15H,5,7-10H2,1H3;3-7,12-13,16,23H,8-11H2,1-2H3
InChIKeyRZOCFKOUZGKBKE-UHFFFAOYSA-N
MW1740.14 g/mol
LogP21.08
Rot. Bonds14

About 3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine

3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine (PubChem CID 160772922) has the molecular formula C85H91BrCl5N7O9S4 and a molecular weight of 1740.14 g/mol. Its IUPAC name is 3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine.

Molecular Properties

Compound Name3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine
PubChem CID160772922
Molecular FormulaC85H91BrCl5N7O9S4
Molecular Weight1740.14 g/mol
Exact Mass1735.34
IUPAC Name3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine
SMILESCCc1cc(Br)ccc1S(=O)(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1.Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)c2c1.Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)c2c1.Cc1cccc2c1CC=C2C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C22H25BrN2O3S.C21H22Cl2N2O2S.C21H21Cl2NO2S.C21H23ClN2O2S/c1-3-15-12-17(23)4-7-22(15)29(26,27)25-10-8-16(9-11-25)20-14-24-21-6-5-18(28-2)13-19(20)21;1-13-3-4-20-16(9-13)17(12-24-20)15-5-7-25(8-6-15)28(26,27)21-10-14(2)18(22)11-19(21)23;1-14-3-2-4-21-19(14)5-6-20(21)15-7-9-24(10-8-15)27(25,26)18-12-16(22)11-17(23)13-18;1-14-6-7-20-17(12-14)18(13-23-20)16-8-10-24(11-9-16)27(25,26)21-5-3-4-19(22)15(21)2/h4-7,12-14,16,24H,3,8-11H2,1-2H3;3-4,9-12,15,24H,5-8H2,1-2H3;2-4,6,11-13,15H,5,7-10H2,1H3;3-7,12-13,16,23H,8-11H2,1-2H3
InChIKeyRZOCFKOUZGKBKE-UHFFFAOYSA-N
XLogP21.08
TPSA206.12 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001740.14
LogP ≤ 521.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine?
The IUPAC name of 3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine (CID 160772922) is 3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine.
What is the SMILES notation for 3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine?
The canonical SMILES for 3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine is CCc1cc(Br)ccc1S(=O)(=O)N1CCC(c2c[nH]c3ccc(OC)cc23)CC1.Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cc(C)c(Cl)cc4Cl)CC3)c2c1.Cc1ccc2[nH]cc(C3CCN(S(=O)(=O)c4cccc(Cl)c4C)CC3)c2c1.Cc1cccc2c1CC=C2C1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine?
The InChIKey is RZOCFKOUZGKBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25BrN2O3S.C21H22Cl2N2O2S.C21H21Cl2NO2S.C21H23ClN2O2S/c1-3-15-12-17(23)4-7-22(15)29(26,27)25-10-8-16(9-11-25)20-14-24-21-6-5-18(28-2)13-19(20)21;1-13-3-4-20-16(9-13)17(12-24-20)15-5-7-25(8-6-15)28(26,27)21-10-14(2)18(22)11-19(21)23;1-14-3-2-4-21-19(14)5-6-20(21)15-7-9-24(10-8-15)27(25,26)18-12-16(22)11-17(23)13-18;1-14-6-7-20-17(12-14)18(13-23-20)16-8-10-24(11-9-16)27(25,26)21-5-3-4-19(22)15(21)2/h4-7,12-14,16,24H,3,8-11H2,1-2H3;3-4,9-12,15,24H,5-8H2,1-2H3;2-4,6,11-13,15H,5,7-10H2,1H3;3-7,12-13,16,23H,8-11H2,1-2H3.
What are the key properties of 3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine?
3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine has a molecular weight of 1740.14 g/mol, XLogP of 21.08, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromo-2-ethylphenyl)sulfonylpiperidin-4-yl]-5-methoxy-1H-indole;3-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]-5-methyl-1H-indole;1-(3,5-dichlorophenyl)sulfonyl-4-(4-methyl-3H-inden-1-yl)piperidine is sourced from PubChem (CID 160772922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).