4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C9H14N2O5S — CID 65034109

IUPAC4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(CO)CNS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C9H14N2O5S/c1-6(5-12)3-11-17(15,16)7-2-8(9(13)14)10-4-7/h2,4,6,10-12H,3,5H2,1H3,(H,13,14)
InChIKeyYYXAFRHBMIOIQN-UHFFFAOYSA-N
MW262.29 g/mol
LogP-0.38
Rot. Bonds6

About 4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 65034109) has the molecular formula C9H14N2O5S and a molecular weight of 262.29 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID65034109
Molecular FormulaC9H14N2O5S
Molecular Weight262.29 g/mol
Exact Mass262.06
IUPAC Name4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(CO)CNS(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C9H14N2O5S/c1-6(5-12)3-11-17(15,16)7-2-8(9(13)14)10-4-7/h2,4,6,10-12H,3,5H2,1H3,(H,13,14)
InChIKeyYYXAFRHBMIOIQN-UHFFFAOYSA-N
XLogP-0.38
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-piperidin-1-ylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61009733
4-(2,2-dimethylpropylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 61167038
4-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 66186719
4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780827
4-(2-methylsulfanylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 43525958
4-(3-ethylpentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 63843659
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65034105
4-[(4-methylphenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 16780350
N-[2-(methylamino)propyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 120825513
4-(2-phenylethylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780760
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]-4,5-dimethylbenzoic acid
CID 65033957
5-chloro-N-(4-hydroxy-2-methylbutyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 66107588

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 65034109) is 4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CC(CO)CNS(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is YYXAFRHBMIOIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5S/c1-6(5-12)3-11-17(15,16)7-2-8(9(13)14)10-4-7/h2,4,6,10-12H,3,5H2,1H3,(H,13,14).
What are the key properties of 4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 262.29 g/mol, XLogP of -0.38, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methylpropyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 65034109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).