1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide

C11H16F3N3O3S — CID 51098720

IUPAC1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C11H16F3N3O3S/c1-3-4-17(7-11(12,13)14)21(19,20)8-5-9(10(15)18)16(2)6-8/h5-6H,3-4,7H2,1-2H3,(H2,15,18)
InChIKeyLXFMVAKJNUPEER-UHFFFAOYSA-N
MW327.33 g/mol
LogP1.09
Rot. Bonds6

About 1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide

1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide (PubChem CID 51098720) has the molecular formula C11H16F3N3O3S and a molecular weight of 327.33 g/mol. Its IUPAC name is 1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide
PubChem CID51098720
Molecular FormulaC11H16F3N3O3S
Molecular Weight327.33 g/mol
Exact Mass327.09
IUPAC Name1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(N)=O)n(C)c1
InChIInChI=1S/C11H16F3N3O3S/c1-3-4-17(7-11(12,13)14)21(19,20)8-5-9(10(15)18)16(2)6-8/h5-6H,3-4,7H2,1-2H3,(H2,15,18)
InChIKeyLXFMVAKJNUPEER-UHFFFAOYSA-N
XLogP1.09
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide (CID 51098720) is 1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide is CCCN(CC(F)(F)F)S(=O)(=O)c1cc(C(N)=O)n(C)c1.
What is the InChIKey of 1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide?
The InChIKey is LXFMVAKJNUPEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3S/c1-3-4-17(7-11(12,13)14)21(19,20)8-5-9(10(15)18)16(2)6-8/h5-6H,3-4,7H2,1-2H3,(H2,15,18).
What are the key properties of 1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide?
1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide has a molecular weight of 327.33 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[propyl(2,2,2-trifluoroethyl)sulfamoyl]pyrrole-2-carboxamide is sourced from PubChem (CID 51098720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).