ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate

C18H17NO5S — CID 155517342

IUPACethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H17NO5S/c1-3-24-18(20)17-12-13-6-4-5-7-16(13)19(17)25(21,22)15-10-8-14(23-2)9-11-15/h4-12H,3H2,1-2H3
InChIKeyLTLSVJKGUFHTDZ-UHFFFAOYSA-N
MW359.40 g/mol
LogP3.06
Rot. Bonds5

About ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate

ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate (PubChem CID 155517342) has the molecular formula C18H17NO5S and a molecular weight of 359.40 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate
PubChem CID155517342
Molecular FormulaC18H17NO5S
Molecular Weight359.40 g/mol
Exact Mass359.08
IUPAC Nameethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H17NO5S/c1-3-24-18(20)17-12-13-6-4-5-7-16(13)19(17)25(21,22)15-10-8-14(23-2)9-11-15/h4-12H,3H2,1-2H3
InChIKeyLTLSVJKGUFHTDZ-UHFFFAOYSA-N
XLogP3.06
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate (CID 155517342) is ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate is CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate?
The InChIKey is LTLSVJKGUFHTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5S/c1-3-24-18(20)17-12-13-6-4-5-7-16(13)19(17)25(21,22)15-10-8-14(23-2)9-11-15/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate?
ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate has a molecular weight of 359.40 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)sulfonylindole-2-carboxylate is sourced from PubChem (CID 155517342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).