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

C18H17NO4S — CID 14783456

IUPACethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H17NO4S/c1-3-23-18(20)17-12-14-6-4-5-7-16(14)19(17)24(21,22)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3
InChIKeyOJMOGUKIYRAILM-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.36
Rot. Bonds4

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

ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate (PubChem CID 14783456) has the molecular formula C18H17NO4S and a molecular weight of 343.40 g/mol. Its IUPAC name is ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate
PubChem CID14783456
Molecular FormulaC18H17NO4S
Molecular Weight343.40 g/mol
Exact Mass343.09
IUPAC Nameethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H17NO4S/c1-3-23-18(20)17-12-14-6-4-5-7-16(14)19(17)24(21,22)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3
InChIKeyOJMOGUKIYRAILM-UHFFFAOYSA-N
XLogP3.36
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate?
The IUPAC name of ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate (CID 14783456) is ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate?
The canonical SMILES for ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate is CCOC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate?
The InChIKey is OJMOGUKIYRAILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4S/c1-3-23-18(20)17-12-14-6-4-5-7-16(14)19(17)24(21,22)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate?
ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate has a molecular weight of 343.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methylphenyl)sulfonylindole-2-carboxylate is sourced from PubChem (CID 14783456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).