4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

C11H15F3N2O4S — CID 60952307

IUPAC4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H15F3N2O4S/c1-7(2)5-16(6-11(12,13)14)21(19,20)8-3-9(10(17)18)15-4-8/h3-4,7,15H,5-6H2,1-2H3,(H,17,18)
InChIKeyLXKMDWCZPKWHCB-UHFFFAOYSA-N
MW328.31 g/mol
LogP1.92
Rot. Bonds6

About 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid

4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (PubChem CID 60952307) has the molecular formula C11H15F3N2O4S and a molecular weight of 328.31 g/mol. Its IUPAC name is 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
PubChem CID60952307
Molecular FormulaC11H15F3N2O4S
Molecular Weight328.31 g/mol
Exact Mass328.07
IUPAC Name4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)c1c[nH]c(C(=O)O)c1
InChIInChI=1S/C11H15F3N2O4S/c1-7(2)5-16(6-11(12,13)14)21(19,20)8-3-9(10(17)18)15-4-8/h3-4,7,15H,5-6H2,1-2H3,(H,17,18)
InChIKeyLXKMDWCZPKWHCB-UHFFFAOYSA-N
XLogP1.92
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid (CID 60952307) is 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is CC(C)CN(CC(F)(F)F)S(=O)(=O)c1c[nH]c(C(=O)O)c1.
What is the InChIKey of 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
The InChIKey is LXKMDWCZPKWHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O4S/c1-7(2)5-16(6-11(12,13)14)21(19,20)8-3-9(10(17)18)15-4-8/h3-4,7,15H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid?
4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid has a molecular weight of 328.31 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 60952307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).