1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid

C9H12N2O4S — CID 114612783

IUPAC1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)n(C2CCC2)c1
InChIInChI=1S/C9H12N2O4S/c10-16(14,15)7-4-8(9(12)13)11(5-7)6-2-1-3-6/h4-6H,1-3H2,(H,12,13)(H2,10,14,15)
InChIKeyLYGAWGHMRWVYKV-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.56
Rot. Bonds3

About 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid

1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid (PubChem CID 114612783) has the molecular formula C9H12N2O4S and a molecular weight of 244.27 g/mol. Its IUPAC name is 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid
PubChem CID114612783
Molecular FormulaC9H12N2O4S
Molecular Weight244.27 g/mol
Exact Mass244.05
IUPAC Name1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid
SMILESNS(=O)(=O)c1cc(C(=O)O)n(C2CCC2)c1
InChIInChI=1S/C9H12N2O4S/c10-16(14,15)7-4-8(9(12)13)11(5-7)6-2-1-3-6/h4-6H,1-3H2,(H,12,13)(H2,10,14,15)
InChIKeyLYGAWGHMRWVYKV-UHFFFAOYSA-N
XLogP0.56
TPSA102.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612607
1-cyclopropyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612010
methyl 1-cyclopentyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612610
1-cyclobutyl-N-ethyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611983
1-cyclopropyl-N-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 114611999
oxolan-3-yl 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylate
CID 114612767
1-cyclopropyl-4-piperidin-1-ylsulfonylpyrrole-2-carboxylic acid
CID 43644291
N-(cyclopentylmethyl)-1-cyclopropyl-4-sulfamoylpyrrole-2-carboxamide
CID 114612168
1-cyclooctyl-4-iodopyrrole-2-carboxylic acid
CID 114603756
oxetan-3-yl 1-cyclopropyl-4-sulfamoylpyrrole-2-carboxylate
CID 102608651
1-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-4-sulfamoylpyrrole-2-carboxamide
CID 114612371
N-cyclopropyl-1-piperidin-4-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114611940

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid?
The IUPAC name of 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid (CID 114612783) is 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid.
What is the SMILES notation for 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid?
The canonical SMILES for 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid is NS(=O)(=O)c1cc(C(=O)O)n(C2CCC2)c1.
What is the InChIKey of 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid?
The InChIKey is LYGAWGHMRWVYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4S/c10-16(14,15)7-4-8(9(12)13)11(5-7)6-2-1-3-6/h4-6H,1-3H2,(H,12,13)(H2,10,14,15).
What are the key properties of 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid?
1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid has a molecular weight of 244.27 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-4-sulfamoylpyrrole-2-carboxylic acid is sourced from PubChem (CID 114612783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).