N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

C17H15F6N5O3S — CID 146525669

IUPACN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(C(F)(F)F)C2)ccn1
InChIInChI=1S/C17H15F6N5O3S/c18-16(19,20)9-2-4-28(8-9)14-12(5-10(7-26-14)17(21,22)23)15(29)27-11-1-3-25-13(6-11)32(24,30)31/h1,3,5-7,9H,2,4,8H2,(H2,24,30,31)(H,25,27,29)
InChIKeyRQTYVYASYJMOQD-UHFFFAOYSA-N
MW483.39 g/mol
LogP2.78
Rot. Bonds4

About N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide

N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (PubChem CID 146525669) has the molecular formula C17H15F6N5O3S and a molecular weight of 483.39 g/mol. Its IUPAC name is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
PubChem CID146525669
Molecular FormulaC17H15F6N5O3S
Molecular Weight483.39 g/mol
Exact Mass483.08
IUPAC NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(C(F)(F)F)C2)ccn1
InChIInChI=1S/C17H15F6N5O3S/c18-16(19,20)9-2-4-28(8-9)14-12(5-10(7-26-14)17(21,22)23)15(29)27-11-1-3-25-13(6-11)32(24,30)31/h1,3,5-7,9H,2,4,8H2,(H2,24,30,31)(H,25,27,29)
InChIKeyRQTYVYASYJMOQD-UHFFFAOYSA-N
XLogP2.78
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide (CID 146525669) is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(C(F)(F)F)C2)ccn1.
What is the InChIKey of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
The InChIKey is RQTYVYASYJMOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N5O3S/c18-16(19,20)9-2-4-28(8-9)14-12(5-10(7-26-14)17(21,22)23)15(29)27-11-1-3-25-13(6-11)32(24,30)31/h1,3,5-7,9H,2,4,8H2,(H2,24,30,31)(H,25,27,29).
What are the key properties of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide?
N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide has a molecular weight of 483.39 g/mol, XLogP of 2.78, 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)-5-(trifluoromethyl)-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146525669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).