2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide

C19H19FN2O2S2 — CID 7222720

IUPAC2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccccc3F)s2)cc1
InChIInChI=1S/C19H19FN2O2S2/c1-13-7-9-15(10-8-13)19-22-14(2)17(25-19)11-12-21-26(23,24)18-6-4-3-5-16(18)20/h3-10,21H,11-12H2,1-2H3
InChIKeyUWDXLFOYWBHGTB-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.09
Rot. Bonds6

About 2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide

2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide (PubChem CID 7222720) has the molecular formula C19H19FN2O2S2 and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
PubChem CID7222720
Molecular FormulaC19H19FN2O2S2
Molecular Weight390.51 g/mol
Exact Mass390.09
IUPAC Name2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide
SMILESCc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccccc3F)s2)cc1
InChIInChI=1S/C19H19FN2O2S2/c1-13-7-9-15(10-8-13)19-22-14(2)17(25-19)11-12-21-26(23,24)18-6-4-3-5-16(18)20/h3-10,21H,11-12H2,1-2H3
InChIKeyUWDXLFOYWBHGTB-UHFFFAOYSA-N
XLogP4.09
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide (CID 7222720) is 2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide is Cc1ccc(-c2nc(C)c(CCNS(=O)(=O)c3ccccc3F)s2)cc1.
What is the InChIKey of 2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
The InChIKey is UWDXLFOYWBHGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2S2/c1-13-7-9-15(10-8-13)19-22-14(2)17(25-19)11-12-21-26(23,24)18-6-4-3-5-16(18)20/h3-10,21H,11-12H2,1-2H3.
What are the key properties of 2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide?
2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-[4-methyl-2-(4-methylphenyl)-1,3-thiazol-5-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 7222720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).