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

C119H146ClF6LiN11NaO12S3 — CID 157335068

IUPAClithium;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
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(ccn2-c2ccccc2)c1.O=S=O.[Li+].[Na+].[OH-]
InChIInChI=1S/C24H29FN2O3S.C24H27FN2O3S.C18H23FN2O.C17H21FN2O.C14H10FN.C10H19NO.C8H6FN.C4H9.ClH.Li.Na.O2S.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)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;;;;1-3-2;/h4-10,16-17,23,28H,3,11-15H2,1-2H3;4-10,16-17H,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
InChIKeyZURUFHHUFPQKQD-UHFFFAOYSA-M
MW2198.11 g/mol
LogP19.91
Rot. Bonds24

About 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

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 (PubChem CID 157335068) has the molecular formula C119H146ClF6LiN11NaO12S3 and a molecular weight of 2198.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namelithium;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
PubChem CID157335068
Molecular FormulaC119H146ClF6LiN11NaO12S3
Molecular Weight2198.11 g/mol
Exact Mass2196.00
IUPAC Namelithium;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
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(ccn2-c2ccccc2)c1.O=S=O.[Li+].[Na+].[OH-]
InChIInChI=1S/C24H29FN2O3S.C24H27FN2O3S.C18H23FN2O.C17H21FN2O.C14H10FN.C10H19NO.C8H6FN.C4H9.ClH.Li.Na.O2S.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)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;;;;1-3-2;/h4-10,16-17,23,28H,3,11-15H2,1-2H3;4-10,16-17H,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
InChIKeyZURUFHHUFPQKQD-UHFFFAOYSA-M
XLogP19.91
TPSA308.08 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002198.11
LogP ≤ 519.91
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 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 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-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-[4-(6-fluoro-1H-indole-3-carbonyl)piperidin-1-yl]ethanone;1-[2-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;1-[4-(hydroxymethyl)-4-(1H-indol-3-yl)piperidin-1-yl]ethanone;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-2-yl]methanol;[4-(1H-indol-3-yl)-1-methylsulfonylpiperidin-4-yl]methanol
CID 158841071
[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
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;1,1-dimethyl-2,4-dihydrocyclopenta[b]indol-3-one;1H-indole
CID 159260613
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(ccn2-c2ccccc2)c1.O=S=O.[Li+].[Na+].[OH-].
What is the InChIKey of 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?
The InChIKey is ZURUFHHUFPQKQD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H29FN2O3S.C24H27FN2O3S.C18H23FN2O.C17H21FN2O.C14H10FN.C10H19NO.C8H6FN.C4H9.ClH.Li.Na.O2S.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)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;;;;1-3-2;/h4-10,16-17,23,28H,3,11-15H2,1-2H3;4-10,16-17H,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;[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?
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 has a molecular weight of 2198.11 g/mol, XLogP of 19.91, 24 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157335068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).