4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

C13H15N3O4S — CID 43714614

IUPAC4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCN(C)c1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C13H15N3O4S/c1-16(2)12-6-4-3-5-10(12)15-21(19,20)9-7-11(13(17)18)14-8-9/h3-8,14-15H,1-2H3,(H,17,18)
InChIKeyGZMJWXZVTYEYCN-UHFFFAOYSA-N
MW309.35 g/mol
LogP1.58
Rot. Bonds5

About 4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 43714614) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID43714614
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCN(C)c1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C13H15N3O4S/c1-16(2)12-6-4-3-5-10(12)15-21(19,20)9-7-11(13(17)18)14-8-9/h3-8,14-15H,1-2H3,(H,17,18)
InChIKeyGZMJWXZVTYEYCN-UHFFFAOYSA-N
XLogP1.58
TPSA102.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-aminophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 61403971
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-[(2-chloro-3-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43361749
4-[(3-hydroxy-2,4-dimethylphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43714669
4-[(3-methyl-4-pyridinyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 63672039
4-[(2-carboxy-4-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 51106121
4-[(2-bromo-5-methoxyphenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 62732887
4-[(2-cyano-3-fluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 43580595
4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79090564
4-(dimethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780472
4-[(4-bromo-2,6-difluorophenyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65467761

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 43714614) is 4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is CN(C)c1ccccc1NS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is GZMJWXZVTYEYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-16(2)12-6-4-3-5-10(12)15-21(19,20)9-7-11(13(17)18)14-8-9/h3-8,14-15H,1-2H3,(H,17,18).
What are the key properties of 4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 309.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)phenyl]sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 43714614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).