dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate

C63H60Cl6K2N10O9S3 — CID 158226022

IUPACdipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate
SMILESC.CCc1cc2c(Cl)ccnc2[nH]1.CCc1cc2c(Cl)ccnc2n1CC.CCc1cc2c(Cl)ccnc2n1S(=O)(=O)c1ccccc1.Clc1ccnc2[nH]ccc12.O=CO[O-].O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)n1ccc2c(Cl)ccnc21.[H-].[K+].[K+]
InChIInChI=1S/C15H13ClN2O2S.C13H9ClN2O2S.C11H13ClN2.C9H9ClN2.C7H5ClN2.C6H5ClO2S.CH2O3.CH4.2K.H/c1-2-11-10-13-14(16)8-9-17-15(13)18(11)21(19,20)12-6-4-3-5-7-12;14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10;1-3-8-7-9-10(12)5-6-13-11(9)14(8)4-2;1-2-6-5-7-8(10)3-4-11-9(7)12-6;8-6-2-4-10-7-5(6)1-3-9-7;7-10(8,9)6-4-2-1-3-5-6;2-1-4-3;;;;/h3-10H,2H2,1H3;1-9H;5-7H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,11,12);1-4H,(H,9,10);1-5H;1,3H;1H4;;;/q;;;;;;;;2*+1;-1/p-1
InChIKeyRFPLROSFOJXBCH-UHFFFAOYSA-M
MW1488.35 g/mol
LogP9.49
Rot. Bonds10

About dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate

dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate (PubChem CID 158226022) has the molecular formula C63H60Cl6K2N10O9S3 and a molecular weight of 1488.35 g/mol. Its IUPAC name is dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate.

Molecular Properties

Compound Namedipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate
PubChem CID158226022
Molecular FormulaC63H60Cl6K2N10O9S3
Molecular Weight1488.35 g/mol
Exact Mass1484.11
IUPAC Namedipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate
SMILESC.CCc1cc2c(Cl)ccnc2[nH]1.CCc1cc2c(Cl)ccnc2n1CC.CCc1cc2c(Cl)ccnc2n1S(=O)(=O)c1ccccc1.Clc1ccnc2[nH]ccc12.O=CO[O-].O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)n1ccc2c(Cl)ccnc21.[H-].[K+].[K+]
InChIInChI=1S/C15H13ClN2O2S.C13H9ClN2O2S.C11H13ClN2.C9H9ClN2.C7H5ClN2.C6H5ClO2S.CH2O3.CH4.2K.H/c1-2-11-10-13-14(16)8-9-17-15(13)18(11)21(19,20)12-6-4-3-5-7-12;14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10;1-3-8-7-9-10(12)5-6-13-11(9)14(8)4-2;1-2-6-5-7-8(10)3-4-11-9(7)12-6;8-6-2-4-10-7-5(6)1-3-9-7;7-10(8,9)6-4-2-1-3-5-6;2-1-4-3;;;;/h3-10H,2H2,1H3;1-9H;5-7H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,11,12);1-4H,(H,9,10);1-5H;1,3H;1H4;;;/q;;;;;;;;2*+1;-1/p-1
InChIKeyRFPLROSFOJXBCH-UHFFFAOYSA-M
XLogP9.49
TPSA262.60 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.35
LogP ≤ 59.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate with MolForge

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Related Compounds

sodium;2-chloro-6-methyl-7-(4-methylphenyl)sulfonyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine;2,4-dichloro-6-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine;2,4-dichloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidine;methanolate;6-methyl-7-(4-methylphenyl)sulfonyl-2-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-4-amine;6-methyl-2-phenyl-N-[2-(trifluoromethyl)-4-pyridinyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;phenylboronic acid;2-(trifluoromethyl)pyridin-4-amine
CID 165016435
2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]-N',N'-bis[[2-[2-chloro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]phenyl]sulfonylamino]benzenesulfonohydrazide
CID 156782675
1-[4-[4-[[4-[4-(aminomethyl)piperidin-1-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone;4-[4-(aminomethyl)piperidin-1-yl]-N-(4-piperazin-1-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;1-[4-[4-[[4-[4-(aminomethyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanone;1-[4-(4-aminophenyl)piperazin-1-yl]ethanone;tert-butyl N-[[1-[2-chloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl]methyl]carbamate;tert-butyl N-(piperidin-4-ylmethyl)carbamate;2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine
CID 157094459
carbanide;(3R)-4-[4-chloro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-2-pyridinyl]-3-methylmorpholine;(3R)-4-[4-(1,4-dimethylpyrazol-5-yl)-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]-3-methylmorpholine;ethane;tungsten
CID 157155441
CID 157298428
CID 157298428
benzenesulfinate;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;3-chloropyridine-4-carbaldehyde;bis(3-[[6-[2-(4-chloro-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine)
CID 157371024
dicesium;1-(benzenesulfonyl)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;3-(7H-cyclopenta[c]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine;hydride;methane;1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrrolo[2,3-c]pyridine;oxido formate
CID 158112203
sodium;4-chloro-2-methylpyrimidine;hydroxyazanide;4-methyl-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(2-methylpyrimidin-4-yl)pyrrolo[2,3-b]pyridine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine;4-(2-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine;4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 158244194
4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-[1-(benzenesulfonyl)-4-(2-trimethylsilylethynyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;4-(4-ethyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine;4-(4-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 158489273
4-[1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine;tert-butyl N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]-4-methoxypyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R,4R)-1-[3-(2-aminopyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-4-methoxypyrrolidin-3-yl]-N-methylcarbamate;tert-butyl N-[(3R,4R)-4-methoxypyrrolidin-3-yl]-N-methylcarbamate
CID 158899418
carbanide;N-[2-(chloromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-N-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine;N-methyl-N-[2-(methylaminomethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine;tungsten
CID 158969002
benzenesulfonyl chloride;7-(benzenesulfonyl)-4-chloro-6-iodopyrrolo[2,3-d]pyrimidine;7-(benzenesulfonyl)-4-chloro-6-phenylpyrrolo[2,3-d]pyrimidine;7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine;carbanide;4-chloro-7H-pyrrolo[2,3-d]pyrimidine;palladium;phenylboronic acid
CID 159365537

Frequently Asked Questions

What is the IUPAC name of dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate?
The IUPAC name of dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate (CID 158226022) is dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate.
What is the SMILES notation for dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate?
The canonical SMILES for dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate is C.CCc1cc2c(Cl)ccnc2[nH]1.CCc1cc2c(Cl)ccnc2n1CC.CCc1cc2c(Cl)ccnc2n1S(=O)(=O)c1ccccc1.Clc1ccnc2[nH]ccc12.O=CO[O-].O=S(=O)(Cl)c1ccccc1.O=S(=O)(c1ccccc1)n1ccc2c(Cl)ccnc21.[H-].[K+].[K+].
What is the InChIKey of dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate?
The InChIKey is RFPLROSFOJXBCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H13ClN2O2S.C13H9ClN2O2S.C11H13ClN2.C9H9ClN2.C7H5ClN2.C6H5ClO2S.CH2O3.CH4.2K.H/c1-2-11-10-13-14(16)8-9-17-15(13)18(11)21(19,20)12-6-4-3-5-7-12;14-12-6-8-15-13-11(12)7-9-16(13)19(17,18)10-4-2-1-3-5-10;1-3-8-7-9-10(12)5-6-13-11(9)14(8)4-2;1-2-6-5-7-8(10)3-4-11-9(7)12-6;8-6-2-4-10-7-5(6)1-3-9-7;7-10(8,9)6-4-2-1-3-5-6;2-1-4-3;;;;/h3-10H,2H2,1H3;1-9H;5-7H,3-4H2,1-2H3;3-5H,2H2,1H3,(H,11,12);1-4H,(H,9,10);1-5H;1,3H;1H4;;;/q;;;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate?
dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate has a molecular weight of 1488.35 g/mol, XLogP of 9.49, 10 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;benzenesulfonyl chloride;1-(benzenesulfonyl)-4-chloro-2-ethylpyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-4-chloropyrrolo[2,3-b]pyridine;4-chloro-1,2-diethylpyrrolo[2,3-b]pyridine;4-chloro-2-ethyl-1H-pyrrolo[2,3-b]pyridine;4-chloro-1H-pyrrolo[2,3-b]pyridine;hydride;methane;oxido formate is sourced from PubChem (CID 158226022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).