1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride

C12H19ClN2O4S — CID 114611287

IUPAC1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCCN(CCOC)C(=O)c1cc(S(=O)(=O)Cl)cn1CC
InChIInChI=1S/C12H19ClN2O4S/c1-4-14(6-7-19-3)12(16)11-8-10(20(13,17)18)9-15(11)5-2/h8-9H,4-7H2,1-3H3
InChIKeyOIQRYPMQSLFXAK-UHFFFAOYSA-N
MW322.81 g/mol
LogP1.54
Rot. Bonds7

About 1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride

1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride (PubChem CID 114611287) has the molecular formula C12H19ClN2O4S and a molecular weight of 322.81 g/mol. Its IUPAC name is 1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride
PubChem CID114611287
Molecular FormulaC12H19ClN2O4S
Molecular Weight322.81 g/mol
Exact Mass322.08
IUPAC Name1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride
SMILESCCN(CCOC)C(=O)c1cc(S(=O)(=O)Cl)cn1CC
InChIInChI=1S/C12H19ClN2O4S/c1-4-14(6-7-19-3)12(16)11-8-10(20(13,17)18)9-15(11)5-2/h8-9H,4-7H2,1-3H3
InChIKeyOIQRYPMQSLFXAK-UHFFFAOYSA-N
XLogP1.54
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.81
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
3-[ethyl(2-methoxyethyl)carbamoyl]-4,5-difluorobenzenesulfonyl chloride
CID 65372146
1-ethyl-4-[2-methoxyethyl(methyl)sulfamoyl]pyrrole-2-carboxylic acid
CID 61041453
1-(2-methoxyethyl)-5-[methyl(2-methylpropyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611174
5-[ethyl(methyl)carbamoyl]-1-propylpyrrole-3-sulfonyl chloride
CID 114611119
5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611200
5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611207
1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611390
5-[3-methoxypropyl(methyl)carbamoyl]-1-methylpyrrole-3-sulfonyl chloride
CID 65366837
3-methylbutyl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611749
3-methylbutan-2-yl 4-chlorosulfonyl-1-ethylpyrrole-2-carboxylate
CID 114611837
4-[benzyl(2-methoxyethyl)sulfamoyl]-1-ethylpyrrole-2-carboxylic acid
CID 113224412

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride (CID 114611287) is 1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride is CCN(CCOC)C(=O)c1cc(S(=O)(=O)Cl)cn1CC.
What is the InChIKey of 1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride?
The InChIKey is OIQRYPMQSLFXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O4S/c1-4-14(6-7-19-3)12(16)11-8-10(20(13,17)18)9-15(11)5-2/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride?
1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride has a molecular weight of 322.81 g/mol, XLogP of 1.54, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).