2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate

C14H15ClN2O5S — CID 515927

IUPAC2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
SMILESCOCCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H15ClN2O5S/c1-21-7-8-22-14(18)12-3-2-6-17(12)23(19,20)13-9-10(15)4-5-11(13)16/h2-6,9H,7-8,16H2,1H3
InChIKeyBHXPMUSVORIGJR-UHFFFAOYSA-N
MW358.80 g/mol
LogP1.76
Rot. Bonds6

About 2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate

2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate (PubChem CID 515927) has the molecular formula C14H15ClN2O5S and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
PubChem CID515927
Molecular FormulaC14H15ClN2O5S
Molecular Weight358.80 g/mol
Exact Mass358.04
IUPAC Name2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate
SMILESCOCCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N
InChIInChI=1S/C14H15ClN2O5S/c1-21-7-8-22-14(18)12-3-2-6-17(12)23(19,20)13-9-10(15)4-5-11(13)16/h2-6,9H,7-8,16H2,1H3
InChIKeyBHXPMUSVORIGJR-UHFFFAOYSA-N
XLogP1.76
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate?
The IUPAC name of 2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate (CID 515927) is 2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate.
What is the SMILES notation for 2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate?
The canonical SMILES for 2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate is COCCOC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N.
What is the InChIKey of 2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate?
The InChIKey is BHXPMUSVORIGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O5S/c1-21-7-8-22-14(18)12-3-2-6-17(12)23(19,20)13-9-10(15)4-5-11(13)16/h2-6,9H,7-8,16H2,1H3.
What are the key properties of 2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate?
2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate has a molecular weight of 358.80 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 1-(2-amino-5-chlorophenyl)sulfonylpyrrole-2-carboxylate is sourced from PubChem (CID 515927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).