ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate

C25H21Cl2NO5S — CID 59936941

IUPACethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate
SMILESCCOC(=O)c1c(/C=C(/C)c2ccco2)c2c(Cl)cc(Cl)cc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H21Cl2NO5S/c1-4-32-25(29)24-19(12-16(3)22-6-5-11-33-22)23-20(27)13-17(26)14-21(23)28(24)34(30,31)18-9-7-15(2)8-10-18/h5-14H,4H2,1-3H3/b16-12-
InChIKeyCESPORVZMWTPFR-VBKFSLOCSA-N
MW518.42 g/mol
LogP6.82
Rot. Bonds6

About ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate

ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate (PubChem CID 59936941) has the molecular formula C25H21Cl2NO5S and a molecular weight of 518.42 g/mol. Its IUPAC name is ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate
PubChem CID59936941
Molecular FormulaC25H21Cl2NO5S
Molecular Weight518.42 g/mol
Exact Mass517.05
IUPAC Nameethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate
SMILESCCOC(=O)c1c(/C=C(/C)c2ccco2)c2c(Cl)cc(Cl)cc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C25H21Cl2NO5S/c1-4-32-25(29)24-19(12-16(3)22-6-5-11-33-22)23-20(27)13-17(26)14-21(23)28(24)34(30,31)18-9-7-15(2)8-10-18/h5-14H,4H2,1-3H3/b16-12-
InChIKeyCESPORVZMWTPFR-VBKFSLOCSA-N
XLogP6.82
TPSA78.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.42
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate with MolForge

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Related Compounds

(E)-3-[4,6-dichloro-2-ethoxycarbonyl-1-(4-methylphenyl)sulfonylindol-3-yl]-2-naphthalen-1-ylprop-2-enoic acid
CID 11330941
ethyl 1-(benzenesulfonyl)-4,6-dichloro-3-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]indole-2-carboxylate
CID 54083886
ethyl 3-[3-(2-aminoanilino)-3-oxoprop-1-en-2-yl]-1-(benzenesulfonyl)-4,6-dichloroindole-2-carboxylate
CID 142627137
ethyl 1-(benzenesulfonyl)-5-chloro-3-[ethoxy-(4-methylphenyl)phosphanyl]indole-2-carboxylate
CID 143230555
lithium;magnesium;ethyl 1-(4-methylphenyl)sulfonyl-3H-indol-3-ide-2-carboxylate;dichloride
CID 134834917
3-(4-chlorophenyl)-1-(furan-2-yl)-3-(4-methylphenyl)sulfonylpropan-1-one
CID 3133583
ethyl 2,4,6-trichlorobenzoate
CID 91733956
ethyl 2-methyl-1-(4-methylphenyl)sulfonyl-2H-quinoline-6-carboxylate
CID 54598283
ethyl 6-methyl-11-(4-methylphenyl)sulfonylbenzo[a]carbazole-5-carboxylate
CID 132598521
6-chloro-3-ethoxy-2-methyl-1-(4-methylphenyl)sulfonylindole
CID 173212087
ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
CID 10851265
N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide
CID 34360301

Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate?
The IUPAC name of ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate (CID 59936941) is ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate.
What is the SMILES notation for ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate?
The canonical SMILES for ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate is CCOC(=O)c1c(/C=C(/C)c2ccco2)c2c(Cl)cc(Cl)cc2n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate?
The InChIKey is CESPORVZMWTPFR-VBKFSLOCSA-N. The full InChI is InChI=1S/C25H21Cl2NO5S/c1-4-32-25(29)24-19(12-16(3)22-6-5-11-33-22)23-20(27)13-17(26)14-21(23)28(24)34(30,31)18-9-7-15(2)8-10-18/h5-14H,4H2,1-3H3/b16-12-.
What are the key properties of ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate?
ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate has a molecular weight of 518.42 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-dichloro-3-[(Z)-2-(furan-2-yl)prop-1-enyl]-1-(4-methylphenyl)sulfonylindole-2-carboxylate is sourced from PubChem (CID 59936941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).