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

C14H15NO4S — CID 10851265

IUPACethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H15NO4S/c1-3-19-14(16)13-5-4-10-15(13)20(17,18)12-8-6-11(2)7-9-12/h4-10H,3H2,1-2H3
InChIKeyJDSYECIXVIFSSX-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.21
Rot. Bonds4

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

ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate (PubChem CID 10851265) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
PubChem CID10851265
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Nameethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H15NO4S/c1-3-19-14(16)13-5-4-10-15(13)20(17,18)12-8-6-11(2)7-9-12/h4-10H,3H2,1-2H3
InChIKeyJDSYECIXVIFSSX-UHFFFAOYSA-N
XLogP2.21
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(4-chlorophenyl)sulfonylpyrrole-2-carboxylate
CID 2741384
[1-(benzenesulfonyl)pyrrol-2-yl]-(4-methylphenyl)methanone
CID 22928710
2-methyl-1-(4-methylphenyl)sulfonylpyrrole
CID 839845
tert-butyl N-methyl-N-[2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-oxoethyl]carbamate
CID 90359093
1,3-bis[1-(4-methylphenyl)sulfonylpyrrol-2-yl]-3-phenylpropan-1-one
CID 101387780
ethyl 1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-4-carboxylate
CID 135319162
ethyl 1-formylpyrrole-2-carboxylate
CID 69374156
ethyl 3,3-diethoxy-2-[[1-(4-methylphenyl)sulfonylpyrrol-2-yl]methylamino]propanoate
CID 11826277
2-[1-(4-methylphenyl)sulfonylpyrrol-2-yl]sulfanylacetic acid
CID 13167607
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 1-(methylamino)pyrrole-2-carboxylate
CID 90307328
ethyl 4-acetyl-5-(2-methylphenyl)-1-(4-methylphenyl)sulfonylpyrrole-3-carboxylate
CID 102033252

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate?
The IUPAC name of ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate (CID 10851265) is ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate is CCOC(=O)c1cccn1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate?
The InChIKey is JDSYECIXVIFSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-3-19-14(16)13-5-4-10-15(13)20(17,18)12-8-6-11(2)7-9-12/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate?
ethyl 1-(4-methylphenyl)sulfonylpyrrole-2-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.21, 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)sulfonylpyrrole-2-carboxylate is sourced from PubChem (CID 10851265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).