N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide

C22H15F3N4O3S2 — CID 70789452

IUPACN-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H15F3N4O3S2/c23-22(24,25)15-6-8-16(9-7-15)34(31,32)29-18-12-26-11-10-17(18)20(30)28-21-27-19(13-33-21)14-4-2-1-3-5-14/h1-13,29H,(H,27,28,30)
InChIKeyJYHINQXDURAWQJ-UHFFFAOYSA-N
MW504.52 g/mol
LogP5.28
Rot. Bonds6

About N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide

N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide (PubChem CID 70789452) has the molecular formula C22H15F3N4O3S2 and a molecular weight of 504.52 g/mol. Its IUPAC name is N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide
PubChem CID70789452
Molecular FormulaC22H15F3N4O3S2
Molecular Weight504.52 g/mol
Exact Mass504.05
IUPAC NameN-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H15F3N4O3S2/c23-22(24,25)15-6-8-16(9-7-15)34(31,32)29-18-12-26-11-10-17(18)20(30)28-21-27-19(13-33-21)14-4-2-1-3-5-14/h1-13,29H,(H,27,28,30)
InChIKeyJYHINQXDURAWQJ-UHFFFAOYSA-N
XLogP5.28
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.52
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-methylphenyl)sulfonylamino]-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 70789554
2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 71768251
2-[(4-chlorophenyl)sulfonylamino]-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 26843289
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-[(4-methylphenyl)sulfonylamino]pyridine-4-carboxamide
CID 70789474
5-bromo-2-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 70789526
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 2344834
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 121041309
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-4-(trifluoromethyl)benzamide
CID 7948246
2-phenoxy-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)benzamide
CID 9111057
5-[(4-methylphenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 70789482
4-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 10222134
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-4-(trifluoromethyl)benzamide
CID 7917212

Frequently Asked Questions

What is the IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide?
The IUPAC name of N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide (CID 70789452) is N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide.
What is the SMILES notation for N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide?
The canonical SMILES for N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide?
The InChIKey is JYHINQXDURAWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O3S2/c23-22(24,25)15-6-8-16(9-7-15)34(31,32)29-18-12-26-11-10-17(18)20(30)28-21-27-19(13-33-21)14-4-2-1-3-5-14/h1-13,29H,(H,27,28,30).
What are the key properties of N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide?
N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide has a molecular weight of 504.52 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenyl-1,3-thiazol-2-yl)-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]pyridine-4-carboxamide is sourced from PubChem (CID 70789452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).