5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

About 5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 55801663) has the molecular formula C19H18ClF3N4O4S and a molecular weight of 490.89 g/mol. Its IUPAC name is 5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound Name	5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID	55801663
Molecular Formula	C19H18ClF3N4O4S
Molecular Weight	490.89 g/mol
Exact Mass	490.07
IUPAC Name	5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILES	CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cc1
InChI	InChI=1S/C19H18ClF3N4O4S/c1-27-8-2-3-16(27)26-32(29,30)14-6-4-13(5-7-14)25-17(28)12-9-15(20)18(24-10-12)31-11-19(21,22)23/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,28)/b26-16-
InChIKey	NEIVHSLQMFGIPV-QQXSKIMKSA-N
XLogP	3.74
TPSA	100.96 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.89
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'imine_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 55801663) is 5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)c2cnc(OCC(F)(F)F)c(Cl)c2)cc1.

What is the InChIKey of 5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The InChIKey is NEIVHSLQMFGIPV-QQXSKIMKSA-N. The full InChI is InChI=1S/C19H18ClF3N4O4S/c1-27-8-2-3-16(27)26-32(29,30)14-6-4-13(5-7-14)25-17(28)12-9-15(20)18(24-10-12)31-11-19(21,22)23/h4-7,9-10H,2-3,8,11H2,1H3,(H,25,28)/b26-16-.

What are the key properties of 5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 490.89 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]sulfonylphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 55801663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).