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

C15H10F2N2O2S2 — CID 60620531

IUPAC4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1
InChIInChI=1S/C15H10F2N2O2S2/c16-10-3-6-13(17)12(7-10)14-8-22-15(19-14)9-1-4-11(5-2-9)23(18,20)21/h1-8H,(H2,18,20,21)
InChIKeyRGNHUGMADOTQKC-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.40
Rot. Bonds3

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

4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 60620531) has the molecular formula C15H10F2N2O2S2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID60620531
Molecular FormulaC15H10F2N2O2S2
Molecular Weight352.39 g/mol
Exact Mass352.02
IUPAC Name4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1
InChIInChI=1S/C15H10F2N2O2S2/c16-10-3-6-13(17)12(7-10)14-8-22-15(19-14)9-1-4-11(5-2-9)23(18,20)21/h1-8H,(H2,18,20,21)
InChIKeyRGNHUGMADOTQKC-UHFFFAOYSA-N
XLogP3.40
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 60620531) is 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1.
What is the InChIKey of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is RGNHUGMADOTQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2O2S2/c16-10-3-6-13(17)12(7-10)14-8-22-15(19-14)9-1-4-11(5-2-9)23(18,20)21/h1-8H,(H2,18,20,21).
What are the key properties of 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide?
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 352.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 60620531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).