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

C16H13FN2O2S2 — CID 54773958

IUPAC4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2nccs2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2S2/c17-14-5-7-15(8-6-14)23(20,21)19-11-12-1-3-13(4-2-12)16-18-9-10-22-16/h1-10,19H,11H2
InChIKeyDWECBGZBFIRATM-UHFFFAOYSA-N
MW348.42 g/mol
LogP3.43
Rot. Bonds5

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

4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 54773958) has the molecular formula C16H13FN2O2S2 and a molecular weight of 348.42 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
PubChem CID54773958
Molecular FormulaC16H13FN2O2S2
Molecular Weight348.42 g/mol
Exact Mass348.04
IUPAC Name4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2nccs2)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H13FN2O2S2/c17-14-5-7-15(8-6-14)23(20,21)19-11-12-1-3-13(4-2-12)16-18-9-10-22-16/h1-10,19H,11H2
InChIKeyDWECBGZBFIRATM-UHFFFAOYSA-N
XLogP3.43
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 53.43
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-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide (CID 54773958) is 4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-c2nccs2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is DWECBGZBFIRATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2S2/c17-14-5-7-15(8-6-14)23(20,21)19-11-12-1-3-13(4-2-12)16-18-9-10-22-16/h1-10,19H,11H2.
What are the key properties of 4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide?
4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 348.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[4-(1,3-thiazol-2-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 54773958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).