4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

C15H11FN2O2S2 — CID 141002807

IUPAC4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ncc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C15H11FN2O2S2/c16-12-5-1-10(2-6-12)14-9-18-15(21-14)11-3-7-13(8-4-11)22(17,19)20/h1-9H,(H2,17,19,20)
InChIKeyYIDGBLDWMUKTDX-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.26
Rot. Bonds3

About 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide

4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 141002807) has the molecular formula C15H11FN2O2S2 and a molecular weight of 334.40 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID141002807
Molecular FormulaC15H11FN2O2S2
Molecular Weight334.40 g/mol
Exact Mass334.02
IUPAC Name4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ncc(-c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C15H11FN2O2S2/c16-12-5-1-10(2-6-12)14-9-18-15(21-14)11-3-7-13(8-4-11)22(17,19)20/h1-9H,(H2,17,19,20)
InChIKeyYIDGBLDWMUKTDX-UHFFFAOYSA-N
XLogP3.26
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 141002807) is 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ncc(-c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is YIDGBLDWMUKTDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S2/c16-12-5-1-10(2-6-12)14-9-18-15(21-14)11-3-7-13(8-4-11)22(17,19)20/h1-9H,(H2,17,19,20).
What are the key properties of 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 334.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 141002807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).