2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate

C10H14ClNO5S — CID 65396196

IUPAC2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
SMILESCCOCCOC(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C10H14ClNO5S/c1-3-16-4-5-17-10(13)9-6-8(7-12(9)2)18(11,14)15/h6-7H,3-5H2,1-2H3
InChIKeyFKTAONCPLATDSJ-UHFFFAOYSA-N
MW295.74 g/mol
LogP1.15
Rot. Bonds6

About 2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate

2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate (PubChem CID 65396196) has the molecular formula C10H14ClNO5S and a molecular weight of 295.74 g/mol. Its IUPAC name is 2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
PubChem CID65396196
Molecular FormulaC10H14ClNO5S
Molecular Weight295.74 g/mol
Exact Mass295.03
IUPAC Name2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
SMILESCCOCCOC(=O)c1cc(S(=O)(=O)Cl)cn1C
InChIInChI=1S/C10H14ClNO5S/c1-3-16-4-5-17-10(13)9-6-8(7-12(9)2)18(11,14)15/h6-7H,3-5H2,1-2H3
InChIKeyFKTAONCPLATDSJ-UHFFFAOYSA-N
XLogP1.15
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methylbutyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65396394
5-[2-ethoxyethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 81074609
cyclopentylmethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 66322738
2-ethylhexyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65373925
ethyl 4-chlorosulfonyl-1-propylpyrrole-2-carboxylate
CID 114611653
5-[ethyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366824
butyl 4-chlorosulfonyl-1-(2-methoxyethyl)pyrrole-2-carboxylate
CID 114611671
N-(2-ethoxyethyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60977535
3-methylbutyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611749
cyclohexyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65397331
(3,4-dimethylcyclohexyl) 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate
CID 65373386
propyl 4-chlorosulfonyl-1-(2,2-difluoroethyl)pyrrole-2-carboxylate
CID 114611659

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate?
The IUPAC name of 2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate (CID 65396196) is 2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate.
What is the SMILES notation for 2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate?
The canonical SMILES for 2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate is CCOCCOC(=O)c1cc(S(=O)(=O)Cl)cn1C.
What is the InChIKey of 2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate?
The InChIKey is FKTAONCPLATDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO5S/c1-3-16-4-5-17-10(13)9-6-8(7-12(9)2)18(11,14)15/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate?
2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate has a molecular weight of 295.74 g/mol, XLogP of 1.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 4-chlorosulfonyl-1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 65396196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).