N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C22H17F6N3O6S2 — CID 89008844

IUPACN-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)c(OCCC(F)(F)F)c1
InChIInChI=1S/C22H17F6N3O6S2/c23-21(24,25)9-10-37-16-11-14(12-30-19(16)13-5-7-15(8-6-13)22(26,27)28)20(32)31-39(35,36)18-4-2-1-3-17(18)38(29,33)34/h1-8,11-12H,9-10H2,(H,31,32)(H2,29,33,34)
InChIKeyINZXEICZTORUCC-UHFFFAOYSA-N
MW597.52 g/mol
LogP3.86
Rot. Bonds8

About N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 89008844) has the molecular formula C22H17F6N3O6S2 and a molecular weight of 597.52 g/mol. Its IUPAC name is N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID89008844
Molecular FormulaC22H17F6N3O6S2
Molecular Weight597.52 g/mol
Exact Mass597.05
IUPAC NameN-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)c(OCCC(F)(F)F)c1
InChIInChI=1S/C22H17F6N3O6S2/c23-21(24,25)9-10-37-16-11-14(12-30-19(16)13-5-7-15(8-6-13)22(26,27)28)20(32)31-39(35,36)18-4-2-1-3-17(18)38(29,33)34/h1-8,11-12H,9-10H2,(H,31,32)(H2,29,33,34)
InChIKeyINZXEICZTORUCC-UHFFFAOYSA-N
XLogP3.86
TPSA145.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500597.52
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 89008844) is N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is NS(=O)(=O)c1ccccc1S(=O)(=O)NC(=O)c1cnc(-c2ccc(C(F)(F)F)cc2)c(OCCC(F)(F)F)c1.
What is the InChIKey of N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is INZXEICZTORUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F6N3O6S2/c23-21(24,25)9-10-37-16-11-14(12-30-19(16)13-5-7-15(8-6-13)22(26,27)28)20(32)31-39(35,36)18-4-2-1-3-17(18)38(29,33)34/h1-8,11-12H,9-10H2,(H,31,32)(H2,29,33,34).
What are the key properties of N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 597.52 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylphenyl)sulfonyl-6-[4-(trifluoromethyl)phenyl]-5-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 89008844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).