ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate

C20H19NO5S — CID 66924572

IUPACethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C20H19NO5S/c1-3-26-20(22)16-13-19(15-7-5-4-6-8-15)21(14-16)27(23,24)18-11-9-17(25-2)10-12-18/h4-14H,3H2,1-2H3
InChIKeyFJWBGTQQIMAOBN-UHFFFAOYSA-N
MW385.44 g/mol
LogP3.58
Rot. Bonds6

About ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate

ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate (PubChem CID 66924572) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate
PubChem CID66924572
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Nameethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1
InChIInChI=1S/C20H19NO5S/c1-3-26-20(22)16-13-19(15-7-5-4-6-8-15)21(14-16)27(23,24)18-11-9-17(25-2)10-12-18/h4-14H,3H2,1-2H3
InChIKeyFJWBGTQQIMAOBN-UHFFFAOYSA-N
XLogP3.58
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.58
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)sulfonyl-5-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate (CID 66924572) is ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)n(S(=O)(=O)c2ccc(OC)cc2)c1.
What is the InChIKey of ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate?
The InChIKey is FJWBGTQQIMAOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-3-26-20(22)16-13-19(15-7-5-4-6-8-15)21(14-16)27(23,24)18-11-9-17(25-2)10-12-18/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate?
ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate has a molecular weight of 385.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-methoxyphenyl)sulfonyl-5-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 66924572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).