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

C21H14F2N4O3S2 — CID 70789345

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccncc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H14F2N4O3S2/c22-14-3-1-13(2-4-14)19-12-31-21(25-19)26-20(28)17-9-10-24-11-18(17)27-32(29,30)16-7-5-15(23)6-8-16/h1-12,27H,(H,25,26,28)
InChIKeyNPYYJPYKNZSNMV-UHFFFAOYSA-N
MW472.50 g/mol
LogP4.54
Rot. Bonds6

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

3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (PubChem CID 70789345) has the molecular formula C21H14F2N4O3S2 and a molecular weight of 472.50 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
PubChem CID70789345
Molecular FormulaC21H14F2N4O3S2
Molecular Weight472.50 g/mol
Exact Mass472.05
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccncc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H14F2N4O3S2/c22-14-3-1-13(2-4-14)19-12-31-21(25-19)26-20(28)17-9-10-24-11-18(17)27-32(29,30)16-7-5-15(23)6-8-16/h1-12,27H,(H,25,26,28)
InChIKeyNPYYJPYKNZSNMV-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-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide (CID 70789345) is 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccncc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
The InChIKey is NPYYJPYKNZSNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O3S2/c22-14-3-1-13(2-4-14)19-12-31-21(25-19)26-20(28)17-9-10-24-11-18(17)27-32(29,30)16-7-5-15(23)6-8-16/h1-12,27H,(H,25,26,28).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide?
3-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-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-[(4-fluorophenyl)sulfonylamino]-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 70789345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).