1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide

C22H16F4N2O2S2 — CID 19385954

IUPAC1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide
SMILESO=S(=O)(NC1=NC(c2ccccc2)(c2ccc(F)cc2)C(c2ccccc2)S1)C(F)(F)F
InChIInChI=1S/C22H16F4N2O2S2/c23-18-13-11-17(12-14-18)21(16-9-5-2-6-10-16)19(15-7-3-1-4-8-15)31-20(27-21)28-32(29,30)22(24,25)26/h1-14,19H,(H,27,28)
InChIKeyWXPQDIYTQNREIQ-UHFFFAOYSA-N
MW480.51 g/mol
LogP5.35
Rot. Bonds4

About 1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide

1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide (PubChem CID 19385954) has the molecular formula C22H16F4N2O2S2 and a molecular weight of 480.51 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide
PubChem CID19385954
Molecular FormulaC22H16F4N2O2S2
Molecular Weight480.51 g/mol
Exact Mass480.06
IUPAC Name1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide
SMILESO=S(=O)(NC1=NC(c2ccccc2)(c2ccc(F)cc2)C(c2ccccc2)S1)C(F)(F)F
InChIInChI=1S/C22H16F4N2O2S2/c23-18-13-11-17(12-14-18)21(16-9-5-2-6-10-16)19(15-7-3-1-4-8-15)31-20(27-21)28-32(29,30)22(24,25)26/h1-14,19H,(H,27,28)
InChIKeyWXPQDIYTQNREIQ-UHFFFAOYSA-N
XLogP5.35
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.51
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-phenyl-2H-1,4-thiazin-5-amine
CID 89095299
(3R,6S)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-[3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-5-amine
CID 89095402
(3R,6R)-3-(2,4-difluorophenyl)-3,6-dimethyl-1,1-dioxo-6-[3-(trifluoromethyl)phenyl]-2H-1,4-thiazin-5-amine
CID 89095408
(5R)-5-(2-fluorophenyl)-5-methyl-9,9-dioxo-2,9lambda6-dithia-4-azaspiro[5.5]undec-3-en-3-amine
CID 146168528
(5R,6R)-5-(2,4-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-[4-(trifluoromethyl)phenyl]-6H-1,2,4-thiadiazin-3-amine
CID 51039261
(5R,6R)-6-[4-(1,1-difluoroethyl)phenyl]-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 51351843
(5R,6R)-5-(2,5-difluorophenyl)-6-[4-(1,1-difluoropropyl)phenyl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 51351881
(5R,6R)-6-[4-(1,1-difluoropropyl)phenyl]-2,5-dimethyl-1,1-dioxo-5-(2,4,5-trifluorophenyl)-6H-1,2,4-thiadiazin-3-amine
CID 51351958
(5R,6R)-6-[4-(1,1-difluoroethyl)phenyl]-2,5-dimethyl-1,1-dioxo-5-(2,4,5-trifluorophenyl)-6H-1,2,4-thiadiazin-3-amine
CID 51351992
(5R,6R)-6-[4-(1,1-difluoroethyl)phenyl]-2,5-dimethyl-1,1-dioxo-5-(2,4,6-trifluorophenyl)-6H-1,2,4-thiadiazin-3-amine
CID 51351996
(5R,6S)-6-benzyl-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 51352081
(5R,6R)-5-(2,5-difluorophenyl)-2,5-dimethyl-1,1-dioxo-6-phenyl-6H-1,2,4-thiadiazin-3-amine
CID 51352082

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide (CID 19385954) is 1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide is O=S(=O)(NC1=NC(c2ccccc2)(c2ccc(F)cc2)C(c2ccccc2)S1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide?
The InChIKey is WXPQDIYTQNREIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N2O2S2/c23-18-13-11-17(12-14-18)21(16-9-5-2-6-10-16)19(15-7-3-1-4-8-15)31-20(27-21)28-32(29,30)22(24,25)26/h1-14,19H,(H,27,28).
What are the key properties of 1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide has a molecular weight of 480.51 g/mol, XLogP of 5.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[4-(4-fluorophenyl)-4,5-diphenyl-5H-1,3-thiazol-2-yl]methanesulfonamide is sourced from PubChem (CID 19385954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).