ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

C16H19ClN2O4S — CID 20927255

IUPACethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2cccc(Cl)c2)c(C)n(C)c1C
InChIInChI=1S/C16H19ClN2O4S/c1-5-23-16(20)14-10(2)19(4)11(3)15(14)24(21,22)18-13-8-6-7-12(17)9-13/h6-9,18H,5H2,1-4H3
InChIKeyDNNIODQZQDYMNQ-UHFFFAOYSA-N
MW370.86 g/mol
LogP3.27
Rot. Bonds5

About ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate

ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (PubChem CID 20927255) has the molecular formula C16H19ClN2O4S and a molecular weight of 370.86 g/mol. Its IUPAC name is ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
PubChem CID20927255
Molecular FormulaC16H19ClN2O4S
Molecular Weight370.86 g/mol
Exact Mass370.08
IUPAC Nameethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(S(=O)(=O)Nc2cccc(Cl)c2)c(C)n(C)c1C
InChIInChI=1S/C16H19ClN2O4S/c1-5-23-16(20)14-10(2)19(4)11(3)15(14)24(21,22)18-13-8-6-7-12(17)9-13/h6-9,18H,5H2,1-4H3
InChIKeyDNNIODQZQDYMNQ-UHFFFAOYSA-N
XLogP3.27
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate (CID 20927255) is ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is CCOC(=O)c1c(S(=O)(=O)Nc2cccc(Cl)c2)c(C)n(C)c1C.
What is the InChIKey of ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
The InChIKey is DNNIODQZQDYMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4S/c1-5-23-16(20)14-10(2)19(4)11(3)15(14)24(21,22)18-13-8-6-7-12(17)9-13/h6-9,18H,5H2,1-4H3.
What are the key properties of ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate?
ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate has a molecular weight of 370.86 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-chlorophenyl)sulfamoyl]-1,2,5-trimethylpyrrole-3-carboxylate is sourced from PubChem (CID 20927255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).