ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate

C19H19NO5S — CID 10937613

IUPACethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C19H19NO5S/c1-4-25-19(21)18-13(2)20(17-11-10-14(24-3)12-16(17)18)26(22,23)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyDFVJWBVTIXMEMV-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.37
Rot. Bonds5

About ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate

ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate (PubChem CID 10937613) has the molecular formula C19H19NO5S and a molecular weight of 373.43 g/mol. Its IUPAC name is ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate
PubChem CID10937613
Molecular FormulaC19H19NO5S
Molecular Weight373.43 g/mol
Exact Mass373.10
IUPAC Nameethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate
SMILESCCOC(=O)c1c(C)n(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12
InChIInChI=1S/C19H19NO5S/c1-4-25-19(21)18-13(2)20(17-11-10-14(24-3)12-16(17)18)26(22,23)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3
InChIKeyDFVJWBVTIXMEMV-UHFFFAOYSA-N
XLogP3.37
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-methoxy-2-methyl-1-methylsulfonylindole-3-carboxylate
CID 23589053
ethyl 1-(benzenesulfonyl)-2-[(3,4-dimethoxyphenyl)methyl]-5-methoxyindole-3-carboxylate
CID 165341185
ethyl (E)-3-[1-(benzenesulfonyl)-2-(bromomethyl)-5-methoxyindol-3-yl]prop-2-enoate
CID 10050742
ethyl 5-methoxy-1-(2-methoxyethyl)-2-methylindole-3-carboxylate
CID 99990777
ethyl 1-(4-methoxyphenyl)-2-methyl-5-(2-phenoxyethoxy)indole-3-carboxylate
CID 2076757
ethyl 9-(benzenesulfonyl)-2-methylcarbazole-3-carboxylate
CID 102400135
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003
ethyl 5-methoxy-2-methyl-1-[3-(trifluoromethyl)phenyl]indole-3-carboxylate
CID 56690107
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
1-(benzenesulfonyl)-3-[(Z)-1-(4-methoxyphenyl)-2-phenylethenyl]-2-methylindole
CID 139067948
[1-(benzenesulfonyl)-3-(4-fluorophenyl)-5-methoxyindol-2-yl]methanol
CID 142660213
ethyl 5-methoxy-2-methyl-1-[2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]indole-3-carboxylate
CID 6979080

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate?
The IUPAC name of ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate (CID 10937613) is ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate.
What is the SMILES notation for ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate?
The canonical SMILES for ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate is CCOC(=O)c1c(C)n(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12.
What is the InChIKey of ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate?
The InChIKey is DFVJWBVTIXMEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5S/c1-4-25-19(21)18-13(2)20(17-11-10-14(24-3)12-16(17)18)26(22,23)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate?
ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate has a molecular weight of 373.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(benzenesulfonyl)-5-methoxy-2-methylindole-3-carboxylate is sourced from PubChem (CID 10937613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).