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

C22H15F3N2O2S2 — CID 122286129

IUPACN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H15F3N2O2S2/c23-22(24,25)17-9-11-19(12-10-17)31(28,29)27-18-8-4-7-16(13-18)20-14-30-21(26-20)15-5-2-1-3-6-15/h1-14,27H
InChIKeyQHVAYHMVEYMSEM-UHFFFAOYSA-N
MW460.50 g/mol
LogP6.30
Rot. Bonds5

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

N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 122286129) has the molecular formula C22H15F3N2O2S2 and a molecular weight of 460.50 g/mol. Its IUPAC name is N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID122286129
Molecular FormulaC22H15F3N2O2S2
Molecular Weight460.50 g/mol
Exact Mass460.05
IUPAC NameN-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H15F3N2O2S2/c23-22(24,25)17-9-11-19(12-10-17)31(28,29)27-18-8-4-7-16(13-18)20-14-30-21(26-20)15-5-2-1-3-6-15/h1-14,27H
InChIKeyQHVAYHMVEYMSEM-UHFFFAOYSA-N
XLogP6.30
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.50
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-difluoro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286228
3-nitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286278
3-chloro-4-methyl-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 122286270
4-methyl-3,5-dinitro-N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 46497692
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 684183
4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784214
N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 39833676
4-methyl-N-[3-(2-pyridin-3-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784245
1-[3,5-bis(trifluoromethyl)phenyl]-3-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]urea
CID 122286137
N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 122286053
4-methyl-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784217
N-[3-(6-methylsulfonylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 18569043

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide (CID 122286129) is N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is QHVAYHMVEYMSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O2S2/c23-22(24,25)17-9-11-19(12-10-17)31(28,29)27-18-8-4-7-16(13-18)20-14-30-21(26-20)15-5-2-1-3-6-15/h1-14,27H.
What are the key properties of N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 460.50 g/mol, XLogP of 6.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-phenyl-1,3-thiazol-4-yl)phenyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 122286129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).