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

C18H17F6N5O3S — CID 146525786

IUPACN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(C(F)(F)F)CC2)ccn1
InChIInChI=1S/C18H17F6N5O3S/c19-17(20,21)10-2-5-29(6-3-10)15-13(7-11(9-27-15)18(22,23)24)16(30)28-12-1-4-26-14(8-12)33(25,31)32/h1,4,7-10H,2-3,5-6H2,(H2,25,31,32)(H,26,28,30)
InChIKeyZFTVIUHYALEBKK-UHFFFAOYSA-N
MW497.42 g/mol
LogP3.17
Rot. Bonds4

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

N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 146525786) has the molecular formula C18H17F6N5O3S and a molecular weight of 497.42 g/mol. Its IUPAC name is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
PubChem CID146525786
Molecular FormulaC18H17F6N5O3S
Molecular Weight497.42 g/mol
Exact Mass497.10
IUPAC NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(C(F)(F)F)CC2)ccn1
InChIInChI=1S/C18H17F6N5O3S/c19-17(20,21)10-2-5-29(6-3-10)15-13(7-11(9-27-15)18(22,23)24)16(30)28-12-1-4-26-14(8-12)33(25,31)32/h1,4,7-10H,2-3,5-6H2,(H2,25,31,32)(H,26,28,30)
InChIKeyZFTVIUHYALEBKK-UHFFFAOYSA-N
XLogP3.17
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.42
LogP ≤ 53.17
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-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide (CID 146525786) is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(C(F)(F)F)CC2)ccn1.
What is the InChIKey of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is ZFTVIUHYALEBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6N5O3S/c19-17(20,21)10-2-5-29(6-3-10)15-13(7-11(9-27-15)18(22,23)24)16(30)28-12-1-4-26-14(8-12)33(25,31)32/h1,4,7-10H,2-3,5-6H2,(H2,25,31,32)(H,26,28,30).
What are the key properties of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide?
N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 497.42 g/mol, XLogP of 3.17, 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-[4-(trifluoromethyl)piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146525786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).