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

C24H21F6N5O4S — CID 146525769

IUPACN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)ccn1
InChIInChI=1S/C24H21F6N5O4S/c25-23(26,27)14-2-1-3-18(10-14)39-17-5-8-35(9-6-17)21-19(11-15(13-33-21)24(28,29)30)22(36)34-16-4-7-32-20(12-16)40(31,37)38/h1-4,7,10-13,17H,5-6,8-9H2,(H2,31,37,38)(H,32,34,36)
InChIKeyJFBPTMFUUFNVJY-UHFFFAOYSA-N
MW589.52 g/mol
LogP4.46
Rot. Bonds6

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

N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide (PubChem CID 146525769) has the molecular formula C24H21F6N5O4S and a molecular weight of 589.52 g/mol. Its IUPAC name is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide
PubChem CID146525769
Molecular FormulaC24H21F6N5O4S
Molecular Weight589.52 g/mol
Exact Mass589.12
IUPAC NameN-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)ccn1
InChIInChI=1S/C24H21F6N5O4S/c25-23(26,27)14-2-1-3-18(10-14)39-17-5-8-35(9-6-17)21-19(11-15(13-33-21)24(28,29)30)22(36)34-16-4-7-32-20(12-16)40(31,37)38/h1-4,7,10-13,17H,5-6,8-9H2,(H2,31,37,38)(H,32,34,36)
InChIKeyJFBPTMFUUFNVJY-UHFFFAOYSA-N
XLogP4.46
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.52
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide (CID 146525769) is N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide is NS(=O)(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cnc2N2CCC(Oc3cccc(C(F)(F)F)c3)CC2)ccn1.
What is the InChIKey of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide?
The InChIKey is JFBPTMFUUFNVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F6N5O4S/c25-23(26,27)14-2-1-3-18(10-14)39-17-5-8-35(9-6-17)21-19(11-15(13-33-21)24(28,29)30)22(36)34-16-4-7-32-20(12-16)40(31,37)38/h1-4,7,10-13,17H,5-6,8-9H2,(H2,31,37,38)(H,32,34,36).
What are the key properties of N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide?
N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide has a molecular weight of 589.52 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoyl-4-pyridinyl)-5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 146525769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).