4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid

C7H10N2O4S — CID 16780472

IUPAC4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCN(C)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C7H10N2O4S/c1-9(2)14(12,13)5-3-6(7(10)11)8-4-5/h3-4,8H,1-2H3,(H,10,11)
InChIKeyMZOGCGKXLWGCHT-UHFFFAOYSA-N
MW218.23 g/mol
LogP-0.04
Rot. Bonds3

About 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid

4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 16780472) has the molecular formula C7H10N2O4S and a molecular weight of 218.23 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
PubChem CID16780472
Molecular FormulaC7H10N2O4S
Molecular Weight218.23 g/mol
Exact Mass218.04
IUPAC Name4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
SMILESCN(C)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C7H10N2O4S/c1-9(2)14(12,13)5-3-6(7(10)11)8-4-5/h3-4,8H,1-2H3,(H,10,11)
InChIKeyMZOGCGKXLWGCHT-UHFFFAOYSA-N
XLogP-0.04
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrrole-2-Carboxylic Acid
CID 12473
Pyrrole-2-Carboxylate
CID 3330246
3-methyl-1H-pyrrole-2-carboxylic acid
CID 7140352
methyl 4-piperidin-1-ylsulfonyl-1H-pyrrole-2-carboxylate
CID 6625945
Methyl 4-(cyclohexylsulfamoyl)-1-methylpyrrole-2-carboxylate
CID 22515634
1-methyl-4-(pyrrolidine-1-sulfonyl)-1H-pyrrole-2-carboxylic acid
CID 8899665
4-methyl-1H-pyrrole-2-carboxylic acid
CID 14643173
methyl 4-{[benzyl(tert-butyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938572
methyl 4-{[(2-fluorophenyl)(propyl)amino]sulfonyl}-1H-pyrrole-2-carboxylate
CID 20938589
methyl 4-[cyclohexyl(methyl)sulfamoyl]-1H-pyrrole-2-carboxylate
CID 6625857
4-(4-Morpholinylsulfonyl)-1H-pyrrole-2-carboxylic acid
CID 7130946
Ethyl 4-[(cyclohexylamino)sulfonyl]-1-methyl-1H-pyrrole-2-carboxylate
CID 22515733

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid (CID 16780472) is 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid is CN(C)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is MZOGCGKXLWGCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4S/c1-9(2)14(12,13)5-3-6(7(10)11)8-4-5/h3-4,8H,1-2H3,(H,10,11).
What are the key properties of 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid?
4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 218.23 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 16780472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).