1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

C22H16F2N2O2S2 — CID 122286474

IUPAC1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16F2N2O2S2/c23-18-8-11-20(24)17(12-18)14-30(27,28)26-19-9-6-15(7-10-19)21-13-29-22(25-21)16-4-2-1-3-5-16/h1-13,26H,14H2
InChIKeyUFUGJXKAAGPXAJ-UHFFFAOYSA-N
MW442.51 g/mol
LogP5.70
Rot. Bonds6

About 1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (PubChem CID 122286474) has the molecular formula C22H16F2N2O2S2 and a molecular weight of 442.51 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
PubChem CID122286474
Molecular FormulaC22H16F2N2O2S2
Molecular Weight442.51 g/mol
Exact Mass442.06
IUPAC Name1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H16F2N2O2S2/c23-18-8-11-20(24)17(12-18)14-30(27,28)26-19-9-6-15(7-10-19)21-13-29-22(25-21)16-4-2-1-3-5-16/h1-13,26H,14H2
InChIKeyUFUGJXKAAGPXAJ-UHFFFAOYSA-N
XLogP5.70
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.51
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286327
1-(2,5-difluorophenyl)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)methanesulfonamide
CID 122285712
N-[4-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-4-fluorobenzenesulfonamide
CID 108784162
2-(2,4-difluorophenyl)-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 122286179
4-[4-[4-(benzylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-5-methylthiophene-2-carbothioic S-acid
CID 172818843
3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286228
1-(3-fluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286299
1-(3,5-difluorophenyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286296
2,4-difluoro-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108739729
1-(3,4-difluorophenyl)-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286135
N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,2-oxazole-4-sulfonamide
CID 122286500
4-methoxy-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 1203751

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide (CID 122286474) is 1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
The InChIKey is UFUGJXKAAGPXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2S2/c23-18-8-11-20(24)17(12-18)14-30(27,28)26-19-9-6-15(7-10-19)21-13-29-22(25-21)16-4-2-1-3-5-16/h1-13,26H,14H2.
What are the key properties of 1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide has a molecular weight of 442.51 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 122286474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).