4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

C20H14FN3O2S2 — CID 108784214

IUPAC4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2S2/c21-15-7-9-17(10-8-15)28(25,26)24-16-5-3-4-14(12-16)19-13-27-20(23-19)18-6-1-2-11-22-18/h1-13,24H
InChIKeyQHQBQKIBTFYBNG-UHFFFAOYSA-N
MW411.48 g/mol
LogP4.81
Rot. Bonds5

About 4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide

4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (PubChem CID 108784214) has the molecular formula C20H14FN3O2S2 and a molecular weight of 411.48 g/mol. Its IUPAC name is 4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
PubChem CID108784214
Molecular FormulaC20H14FN3O2S2
Molecular Weight411.48 g/mol
Exact Mass411.05
IUPAC Name4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccc(F)cc1
InChIInChI=1S/C20H14FN3O2S2/c21-15-7-9-17(10-8-15)28(25,26)24-16-5-3-4-14(12-16)19-13-27-20(23-19)18-6-1-2-11-22-18/h1-13,24H
InChIKeyQHQBQKIBTFYBNG-UHFFFAOYSA-N
XLogP4.81
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286228
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 122286129
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16825197
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 108748438
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide
CID 108784162
4,6-dimethyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyrimidin-2-amine
CID 108779753

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide (CID 108784214) is 4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2csc(-c3ccccn3)n2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
The InChIKey is QHQBQKIBTFYBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3O2S2/c21-15-7-9-17(10-8-15)28(25,26)24-16-5-3-4-14(12-16)19-13-27-20(23-19)18-6-1-2-11-22-18/h1-13,24H.
What are the key properties of 4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide?
4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide has a molecular weight of 411.48 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 108784214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).