4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

C14H22N2O4S — CID 81427123

IUPAC4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)N(CC(C)C)C1CC1
InChIInChI=1S/C14H22N2O4S/c1-8(2)7-16(11-5-6-11)21(19,20)13-9(3)12(14(17)18)15-10(13)4/h8,11,15H,5-7H2,1-4H3,(H,17,18)
InChIKeyWRFJYQYYULNNPC-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.14
Rot. Bonds6

About 4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid

4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (PubChem CID 81427123) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
PubChem CID81427123
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
SMILESCc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)N(CC(C)C)C1CC1
InChIInChI=1S/C14H22N2O4S/c1-8(2)7-16(11-5-6-11)21(19,20)13-9(3)12(14(17)18)15-10(13)4/h8,11,15H,5-7H2,1-4H3,(H,17,18)
InChIKeyWRFJYQYYULNNPC-UHFFFAOYSA-N
XLogP2.14
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-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

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid (CID 81427123) is 4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is Cc1[nH]c(C(=O)O)c(C)c1S(=O)(=O)N(CC(C)C)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is WRFJYQYYULNNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-8(2)7-16(11-5-6-11)21(19,20)13-9(3)12(14(17)18)15-10(13)4/h8,11,15H,5-7H2,1-4H3,(H,17,18).
What are the key properties of 4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid?
4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 314.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-methylpropyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 81427123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).