4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid

C12H13N3O4S — CID 62996039

IUPAC4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)O)c2)cn1
InChIInChI=1S/C12H13N3O4S/c1-8-2-3-9(5-13-8)6-15-20(18,19)10-4-11(12(16)17)14-7-10/h2-5,7,14-15H,6H2,1H3,(H,16,17)
InChIKeyQBOXVEZFYXQENI-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.89
Rot. Bonds5

About 4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 62996039) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID62996039
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCc1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)O)c2)cn1
InChIInChI=1S/C12H13N3O4S/c1-8-2-3-9(5-13-8)6-15-20(18,19)10-4-11(12(16)17)14-7-10/h2-5,7,14-15H,6H2,1H3,(H,16,17)
InChIKeyQBOXVEZFYXQENI-UHFFFAOYSA-N
XLogP0.89
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780350
4-[(4-chlorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 30055975
4-[(2-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780221
4-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]benzenesulfonamide
CID 63008707
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
4-(2-methylsulfanylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43525958
4-(3-phenylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 60913798
4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65034109
4-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 66186719
4-[(2,5-dimethylpyrrol-1-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 79090564
4-[2-(1H-imidazol-5-yl)ethylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 65231835

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 62996039) is 4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid is Cc1ccc(CNS(=O)(=O)c2c[nH]c(C(=O)O)c2)cn1.
What is the InChIKey of 4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is QBOXVEZFYXQENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8-2-3-9(5-13-8)6-15-20(18,19)10-4-11(12(16)17)14-7-10/h2-5,7,14-15H,6H2,1H3,(H,16,17).
What are the key properties of 4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 295.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-3-pyridinyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 62996039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).