4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H13N3O4S — CID 79090564

IUPAC4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(C)n1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H13N3O4S/c1-7-3-4-8(2)14(7)13-19(17,18)9-5-10(11(15)16)12-6-9/h3-6,12-13H,1-2H3,(H,15,16)
InChIKeyZCCNYGPOFUPHHX-UHFFFAOYSA-N
MW283.31 g/mol
LogP1.06
Rot. Bonds4

About 4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 79090564) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID79090564
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(C)n1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H13N3O4S/c1-7-3-4-8(2)14(7)13-19(17,18)9-5-10(11(15)16)12-6-9/h3-6,12-13H,1-2H3,(H,15,16)
InChIKeyZCCNYGPOFUPHHX-UHFFFAOYSA-N
XLogP1.06
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780221
4-[(2,5-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780372
4-[(2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780701
4-[(4-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780350
4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61403971
4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714614
4-[(1,3,5-trimethylpyrazol-4-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361762
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038
4-[(3-hydroxy-2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714669
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
4-[(3-bromo-5-methylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 104937748
4-[1-(furan-2-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43535672

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 79090564) is 4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is Cc1ccc(C)n1NS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is ZCCNYGPOFUPHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c1-7-3-4-8(2)14(7)13-19(17,18)9-5-10(11(15)16)12-6-9/h3-6,12-13H,1-2H3,(H,15,16).
What are the key properties of 4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 283.31 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 79090564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).