3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide

C15H16F4N4O3S — CID 118295593

IUPAC3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
SMILESCC(C)NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C(F)(F)F)c2)c1F
InChIInChI=1S/C15H16F4N4O3S/c1-8(2)22-27(25,26)10-7-23(3)13(12(10)16)14(24)21-9-4-5-20-11(6-9)15(17,18)19/h4-8,22H,1-3H3,(H,20,21,24)
InChIKeyRWBSJRXUBLSYST-UHFFFAOYSA-N
MW408.38 g/mol
LogP2.52
Rot. Bonds5

About 3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide

3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide (PubChem CID 118295593) has the molecular formula C15H16F4N4O3S and a molecular weight of 408.38 g/mol. Its IUPAC name is 3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
PubChem CID118295593
Molecular FormulaC15H16F4N4O3S
Molecular Weight408.38 g/mol
Exact Mass408.09
IUPAC Name3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide
SMILESCC(C)NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C(F)(F)F)c2)c1F
InChIInChI=1S/C15H16F4N4O3S/c1-8(2)22-27(25,26)10-7-23(3)13(12(10)16)14(24)21-9-4-5-20-11(6-9)15(17,18)19/h4-8,22H,1-3H3,(H,20,21,24)
InChIKeyRWBSJRXUBLSYST-UHFFFAOYSA-N
XLogP2.52
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide?
The IUPAC name of 3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide (CID 118295593) is 3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide.
What is the SMILES notation for 3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide?
The canonical SMILES for 3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide is CC(C)NS(=O)(=O)c1cn(C)c(C(=O)Nc2ccnc(C(F)(F)F)c2)c1F.
What is the InChIKey of 3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide?
The InChIKey is RWBSJRXUBLSYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F4N4O3S/c1-8(2)22-27(25,26)10-7-23(3)13(12(10)16)14(24)21-9-4-5-20-11(6-9)15(17,18)19/h4-8,22H,1-3H3,(H,20,21,24).
What are the key properties of 3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide?
3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide has a molecular weight of 408.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methyl-4-(propan-2-ylsulfamoyl)-N-[2-(trifluoromethyl)-4-pyridinyl]pyrrole-2-carboxamide is sourced from PubChem (CID 118295593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).