4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide

C15H10F2N2O2S2 — CID 71855327

IUPAC4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1scnc1-c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H10F2N2O2S2/c16-11-3-1-10(2-4-11)14-15(22-9-18-14)19-23(20,21)13-7-5-12(17)6-8-13/h1-9,19H
InChIKeyGRRCORKJBYSLFF-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.89
Rot. Bonds4

About 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide

4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide (PubChem CID 71855327) has the molecular formula C15H10F2N2O2S2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide
PubChem CID71855327
Molecular FormulaC15H10F2N2O2S2
Molecular Weight352.39 g/mol
Exact Mass352.02
IUPAC Name4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide
SMILESO=S(=O)(Nc1scnc1-c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H10F2N2O2S2/c16-11-3-1-10(2-4-11)14-15(22-9-18-14)19-23(20,21)13-7-5-12(17)6-8-13/h1-9,19H
InChIKeyGRRCORKJBYSLFF-UHFFFAOYSA-N
XLogP3.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide (CID 71855327) is 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide is O=S(=O)(Nc1scnc1-c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide?
The InChIKey is GRRCORKJBYSLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S2/c16-11-3-1-10(2-4-11)14-15(22-9-18-14)19-23(20,21)13-7-5-12(17)6-8-13/h1-9,19H.
What are the key properties of 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide?
4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide has a molecular weight of 352.39 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-fluorophenyl)-1,3-thiazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 71855327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).