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

C21H14F2N4O3S2 — CID 70789432

IUPAC3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C21H14F2N4O3S2/c22-16-7-6-14(10-17(16)23)32(29,30)27-18-11-24-9-8-15(18)20(28)26-21-25-19(12-31-21)13-4-2-1-3-5-13/h1-12,27H,(H,25,26,28)
InChIKeyLSXZEDTYFFKHMZ-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.54
Rot. Bonds6

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

3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (PubChem CID 70789432) has the molecular formula C21H14F2N4O3S2 and a molecular weight of 472.50 g/mol. Its IUPAC name is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
PubChem CID70789432
Molecular FormulaC21H14F2N4O3S2
Molecular Weight472.50 g/mol
Exact Mass472.05
IUPAC Name3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C21H14F2N4O3S2/c22-16-7-6-14(10-17(16)23)32(29,30)27-18-11-24-9-8-15(18)20(28)26-21-25-19(12-31-21)13-4-2-1-3-5-13/h1-12,27H,(H,25,26,28)
InChIKeyLSXZEDTYFFKHMZ-UHFFFAOYSA-N
XLogP4.54
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.50
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The IUPAC name of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide (CID 70789432) is 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
The InChIKey is LSXZEDTYFFKHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O3S2/c22-16-7-6-14(10-17(16)23)32(29,30)27-18-11-24-9-8-15(18)20(28)26-21-25-19(12-31-21)13-4-2-1-3-5-13/h1-12,27H,(H,25,26,28).
What are the key properties of 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide?
3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide has a molecular weight of 472.50 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-difluorophenyl)sulfonylamino]-N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 70789432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).