lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride

C119H148ClF6LiN11NaO12S3 — CID 159849248

IUPAClithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride
SMILESCCCC1(C(=O)c2cc3cc(F)ccc3[nH]2)CCN(C)CC1.CCCC1(C(=O)c2cc3cc(F)ccc3[nH]2)CCNCC1.CCCC1(C(O)c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2)CCN(C)CC1.CCCC1(C(O)c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2)CCN(C)CC1.CCCC1(C=O)CCN(C)CC1.C[C-](C)C.Cl.Fc1ccc2[nH]ccc2c1.Fc1ccc2c(ccn2OOSc2ccccc2)c1.[Li+].[Na+].[OH-]
InChIInChI=1S/2C24H29FN2O3S.C18H23FN2O.C17H21FN2O.C14H10FNO2S.C10H19NO.C8H6FN.C4H9.ClH.Li.Na.H2O/c2*1-3-11-24(12-14-26(2)15-13-24)23(28)22-17-18-16-19(25)9-10-21(18)27(22)31(29,30)20-7-5-4-6-8-20;1-3-6-18(7-9-21(2)10-8-18)17(22)16-12-13-11-14(19)4-5-15(13)20-16;1-2-5-17(6-8-19-9-7-17)16(21)15-11-12-10-13(18)3-4-14(12)20-15;15-12-6-7-14-11(10-12)8-9-16(14)17-18-19-13-4-2-1-3-5-13;1-3-4-10(9-12)5-7-11(2)8-6-10;9-7-1-2-8-6(5-7)3-4-10-8;1-4(2)3;;;;/h2*4-10,16-17,23,28H,3,11-15H2,1-2H3;4-5,11-12,20H,3,6-10H2,1-2H3;3-4,10-11,19-20H,2,5-9H2,1H3;1-10H;9H,3-8H2,1-2H3;1-5,10H;1-3H3;1H;;;1H2/q;;;;;;;-1;;2*+1;/p-1
InChIKeyNGVHHOVCNRFOOA-UHFFFAOYSA-M
MW2200.13 g/mol
LogP20.51
Rot. Bonds27

About lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride

lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride (PubChem CID 159849248) has the molecular formula C119H148ClF6LiN11NaO12S3 and a molecular weight of 2200.13 g/mol. Its IUPAC name is lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride.

Molecular Properties

Compound Namelithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride
PubChem CID159849248
Molecular FormulaC119H148ClF6LiN11NaO12S3
Molecular Weight2200.13 g/mol
Exact Mass2198.01
IUPAC Namelithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride
SMILESCCCC1(C(=O)c2cc3cc(F)ccc3[nH]2)CCN(C)CC1.CCCC1(C(=O)c2cc3cc(F)ccc3[nH]2)CCNCC1.CCCC1(C(O)c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2)CCN(C)CC1.CCCC1(C(O)c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2)CCN(C)CC1.CCCC1(C=O)CCN(C)CC1.C[C-](C)C.Cl.Fc1ccc2[nH]ccc2c1.Fc1ccc2c(ccn2OOSc2ccccc2)c1.[Li+].[Na+].[OH-]
InChIInChI=1S/2C24H29FN2O3S.C18H23FN2O.C17H21FN2O.C14H10FNO2S.C10H19NO.C8H6FN.C4H9.ClH.Li.Na.H2O/c2*1-3-11-24(12-14-26(2)15-13-24)23(28)22-17-18-16-19(25)9-10-21(18)27(22)31(29,30)20-7-5-4-6-8-20;1-3-6-18(7-9-21(2)10-8-18)17(22)16-12-13-11-14(19)4-5-15(13)20-16;1-2-5-17(6-8-19-9-7-17)16(21)15-11-12-10-13(18)3-4-14(12)20-15;15-12-6-7-14-11(10-12)8-9-16(14)17-18-19-13-4-2-1-3-5-13;1-3-4-10(9-12)5-7-11(2)8-6-10;9-7-1-2-8-6(5-7)3-4-10-8;1-4(2)3;;;;/h2*4-10,16-17,23,28H,3,11-15H2,1-2H3;4-5,11-12,20H,3,6-10H2,1-2H3;3-4,10-11,19-20H,2,5-9H2,1H3;1-10H;9H,3-8H2,1-2H3;1-5,10H;1-3H3;1H;;;1H2/q;;;;;;;-1;;2*+1;/p-1
InChIKeyNGVHHOVCNRFOOA-UHFFFAOYSA-M
XLogP20.51
TPSA295.56 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002200.13
LogP ≤ 520.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride with MolForge

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Related Compounds

lithium;sodium;[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol;[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanone;5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;sulfur dioxide;hydroxide;hydrochloride
CID 157335068
lithium;sodium;[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol;[1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanone;5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride
CID 157779953
4-(benzenesulfonyl)-1,1-dimethyl-2H-cyclopenta[b]indol-3-one;1-(benzenesulfonyl)indole;1-[1-(benzenesulfonyl)indol-2-yl]-3-methylbut-2-en-1-ol;1-[1-(benzenesulfonyl)indol-2-yl]-3-methylbut-2-en-1-one;1H-indole
CID 158102587
[1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;1-[1-(ethoxymethyl)indol-2-yl]-1-pyridin-4-ylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-2-yn-1-ol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;(1-phenylindol-2-yl)-pyridin-4-ylmethanone;tris(sulfur dioxide)
CID 158992724
[1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanol;[1-(benzenesulfonyl)indol-2-yl]-pyridin-4-ylmethanone;1-[1-(ethoxymethyl)indol-2-yl]-1-phenylbut-2-yn-1-ol;1H-inden-2-yl-(1H-indol-2-yl)-pyridin-4-ylmethanol;1-(1-phenylindol-2-yl)-1-pyridin-4-ylbut-3-yn-1-ol;1-phenyl-1-(1-phenylindol-2-yl)but-2-yn-1-ol;bis(sulfur dioxide)
CID 159090966

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride?
The IUPAC name of lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride (CID 159849248) is lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride.
What is the SMILES notation for lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride?
The canonical SMILES for lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride is CCCC1(C(=O)c2cc3cc(F)ccc3[nH]2)CCN(C)CC1.CCCC1(C(=O)c2cc3cc(F)ccc3[nH]2)CCNCC1.CCCC1(C(O)c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2)CCN(C)CC1.CCCC1(C(O)c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2)CCN(C)CC1.CCCC1(C=O)CCN(C)CC1.C[C-](C)C.Cl.Fc1ccc2[nH]ccc2c1.Fc1ccc2c(ccn2OOSc2ccccc2)c1.[Li+].[Na+].[OH-].
What is the InChIKey of lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride?
The InChIKey is NGVHHOVCNRFOOA-UHFFFAOYSA-M. The full InChI is InChI=1S/2C24H29FN2O3S.C18H23FN2O.C17H21FN2O.C14H10FNO2S.C10H19NO.C8H6FN.C4H9.ClH.Li.Na.H2O/c2*1-3-11-24(12-14-26(2)15-13-24)23(28)22-17-18-16-19(25)9-10-21(18)27(22)31(29,30)20-7-5-4-6-8-20;1-3-6-18(7-9-21(2)10-8-18)17(22)16-12-13-11-14(19)4-5-15(13)20-16;1-2-5-17(6-8-19-9-7-17)16(21)15-11-12-10-13(18)3-4-14(12)20-15;15-12-6-7-14-11(10-12)8-9-16(14)17-18-19-13-4-2-1-3-5-13;1-3-4-10(9-12)5-7-11(2)8-6-10;9-7-1-2-8-6(5-7)3-4-10-8;1-4(2)3;;;;/h2*4-10,16-17,23,28H,3,11-15H2,1-2H3;4-5,11-12,20H,3,6-10H2,1-2H3;3-4,10-11,19-20H,2,5-9H2,1H3;1-10H;9H,3-8H2,1-2H3;1-5,10H;1-3H3;1H;;;1H2/q;;;;;;;-1;;2*+1;/p-1.
What are the key properties of lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride?
lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride has a molecular weight of 2200.13 g/mol, XLogP of 20.51, 27 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;bis([1-(benzenesulfonyl)-5-fluoroindol-2-yl]-(1-methyl-4-propylpiperidin-4-yl)methanol);5-fluoro-1H-indole;(5-fluoro-1H-indol-2-yl)-(1-methyl-4-propylpiperidin-4-yl)methanone;(5-fluoro-1H-indol-2-yl)-(4-propylpiperidin-4-yl)methanone;5-fluoro-1-phenylsulfanylperoxyindole;2-methylpropane;1-methyl-4-propylpiperidine-4-carbaldehyde;hydroxide;hydrochloride is sourced from PubChem (CID 159849248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).