N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

C19H14F3N3O4S — CID 44759446

IUPACN-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccnc2Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H14F3N3O4S/c20-19(21,22)12-3-1-4-14(11-12)29-18-16(5-2-10-24-18)17(26)25-13-6-8-15(9-7-13)30(23,27)28/h1-11H,(H,25,26)(H2,23,27,28)
InChIKeyCCZKTWZGLXINIW-UHFFFAOYSA-N
MW437.40 g/mol
LogP3.79
Rot. Bonds5

About N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 44759446) has the molecular formula C19H14F3N3O4S and a molecular weight of 437.40 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
PubChem CID44759446
Molecular FormulaC19H14F3N3O4S
Molecular Weight437.40 g/mol
Exact Mass437.07
IUPAC NameN-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccnc2Oc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C19H14F3N3O4S/c20-19(21,22)12-3-1-4-14(11-12)29-18-16(5-2-10-24-18)17(26)25-13-6-8-15(9-7-13)30(23,27)28/h1-11H,(H,25,26)(H2,23,27,28)
InChIKeyCCZKTWZGLXINIW-UHFFFAOYSA-N
XLogP3.79
TPSA111.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.40
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-nitrophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 12894406
1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]ethanone
CID 170916930
N-(4-methyl-2-pyridinyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 15614422
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867
2-(3-chlorophenoxy)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 12894430
3-hydroxy-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56758347
N-[(4-sulfamoylphenyl)methyl]-2-[3-(tetrazol-1-yl)phenoxy]pyridine-3-carboxamide
CID 22612103
N-(4-methoxyphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513637
3-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylate
CID 6930221
1-(4-sulfamoylphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea
CID 17299540
N-(4-fluorophenyl)-N-methyl-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 12849353
1-(4-sulfamoylphenyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 2813478

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide (CID 44759446) is N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is NS(=O)(=O)c1ccc(NC(=O)c2cccnc2Oc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is CCZKTWZGLXINIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O4S/c20-19(21,22)12-3-1-4-14(11-12)29-18-16(5-2-10-24-18)17(26)25-13-6-8-15(9-7-13)30(23,27)28/h1-11H,(H,25,26)(H2,23,27,28).
What are the key properties of N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide?
N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 437.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 44759446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).