N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

C16H12F7N5O3S — CID 146525976

IUPACN-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CC(F)(F)C(F)(F)C2)ccn1
InChIInChI=1S/C16H12F7N5O3S/c17-14(18)6-28(7-15(14,19)20)12-10(3-8(5-26-12)16(21,22)23)13(29)27-9-1-2-25-11(4-9)32(24,30)31/h1-5H,6-7H2,(H2,24,30,31)(H,25,27,29)
InChIKeyDKERTEFASSZOBN-UHFFFAOYSA-N
MW487.36 g/mol
LogP2.49
Rot. Bonds4

About N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide

N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 146525976) has the molecular formula C16H12F7N5O3S and a molecular weight of 487.36 g/mol. Its IUPAC name is N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID146525976
Molecular FormulaC16H12F7N5O3S
Molecular Weight487.36 g/mol
Exact Mass487.05
IUPAC NameN-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CC(F)(F)C(F)(F)C2)ccn1
InChIInChI=1S/C16H12F7N5O3S/c17-14(18)6-28(7-15(14,19)20)12-10(3-8(5-26-12)16(21,22)23)13(29)27-9-1-2-25-11(4-9)32(24,30)31/h1-5H,6-7H2,(H2,24,30,31)(H,25,27,29)
InChIKeyDKERTEFASSZOBN-UHFFFAOYSA-N
XLogP2.49
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide (CID 146525976) is N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CC(F)(F)C(F)(F)C2)ccn1.
What is the InChIKey of N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is DKERTEFASSZOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F7N5O3S/c17-14(18)6-28(7-15(14,19)20)12-10(3-8(5-26-12)16(21,22)23)13(29)27-9-1-2-25-11(4-9)32(24,30)31/h1-5H,6-7H2,(H2,24,30,31)(H,25,27,29).
What are the key properties of N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide?
N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 487.36 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoyl-4-pyridinyl)-2-(3,3,4,4-tetrafluoropyrrolidin-1-yl)-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 146525976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).