1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide

C9H15N3O4S — CID 114611998

IUPAC1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(N)(=O)=O)cn1CCOC
InChIInChI=1S/C9H15N3O4S/c1-11-9(13)8-5-7(17(10,14)15)6-12(8)3-4-16-2/h5-6H,3-4H2,1-2H3,(H,11,13)(H2,10,14,15)
InChIKeyGJARQORZSZZLIM-UHFFFAOYSA-N
MW261.30 g/mol
LogP-0.86
Rot. Bonds5

About 1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide

1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide (PubChem CID 114611998) has the molecular formula C9H15N3O4S and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide
PubChem CID114611998
Molecular FormulaC9H15N3O4S
Molecular Weight261.30 g/mol
Exact Mass261.08
IUPAC Name1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide
SMILESCNC(=O)c1cc(S(N)(=O)=O)cn1CCOC
InChIInChI=1S/C9H15N3O4S/c1-11-9(13)8-5-7(17(10,14)15)6-12(8)3-4-16-2/h5-6H,3-4H2,1-2H3,(H,11,13)(H2,10,14,15)
InChIKeyGJARQORZSZZLIM-UHFFFAOYSA-N
XLogP-0.86
TPSA103.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide (CID 114611998) is 1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide is CNC(=O)c1cc(S(N)(=O)=O)cn1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
The InChIKey is GJARQORZSZZLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4S/c1-11-9(13)8-5-7(17(10,14)15)6-12(8)3-4-16-2/h5-6H,3-4H2,1-2H3,(H,11,13)(H2,10,14,15).
What are the key properties of 1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide?
1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide has a molecular weight of 261.30 g/mol, XLogP of -0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-methyl-4-sulfamoylpyrrole-2-carboxamide is sourced from PubChem (CID 114611998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).