2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide

C17H14F3N3O2S2 — CID 175544581

IUPAC2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCc1cc(-c2csc(Nc3ccc(C(F)(F)F)cc3)n2)ccc1S(N)(=O)=O
InChIInChI=1S/C17H14F3N3O2S2/c1-10-8-11(2-7-15(10)27(21,24)25)14-9-26-16(23-14)22-13-5-3-12(4-6-13)17(18,19)20/h2-9H,1H3,(H,22,23)(H2,21,24,25)
InChIKeyBKWVHYOGUIZDOO-UHFFFAOYSA-N
MW413.45 g/mol
LogP4.53
Rot. Bonds4

About 2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide

2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide (PubChem CID 175544581) has the molecular formula C17H14F3N3O2S2 and a molecular weight of 413.45 g/mol. Its IUPAC name is 2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
PubChem CID175544581
Molecular FormulaC17H14F3N3O2S2
Molecular Weight413.45 g/mol
Exact Mass413.05
IUPAC Name2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide
SMILESCc1cc(-c2csc(Nc3ccc(C(F)(F)F)cc3)n2)ccc1S(N)(=O)=O
InChIInChI=1S/C17H14F3N3O2S2/c1-10-8-11(2-7-15(10)27(21,24)25)14-9-26-16(23-14)22-13-5-3-12(4-6-13)17(18,19)20/h2-9H,1H3,(H,22,23)(H2,21,24,25)
InChIKeyBKWVHYOGUIZDOO-UHFFFAOYSA-N
XLogP4.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]benzenesulfonamide
CID 175544584
N-(3,5-dichlorophenyl)-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 18507812
4-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 2928782
4-(4-aminophenyl)-N-(4-tert-butylphenyl)-1,3-thiazol-2-amine
CID 82028311
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
N-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 695901
2-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 155343072
1-[4-[[4-(4-fluoro-3-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]ethanone
CID 84564276
4-[2-(4-methylanilino)-1,3-thiazol-4-yl]benzene-1,2-diol
CID 962878
N-[3,5-bis(trifluoromethyl)phenyl]-4-naphthalen-2-yl-1,3-thiazol-2-amine
CID 2803721
4-[[4-(2-chloro-4-pyridinyl)-1,3-thiazol-2-yl]amino]benzenesulfonamide
CID 164587687
N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-chlorophenyl)-1,3-thiazol-2-amine
CID 118708822

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide (CID 175544581) is 2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide is Cc1cc(-c2csc(Nc3ccc(C(F)(F)F)cc3)n2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide?
The InChIKey is BKWVHYOGUIZDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O2S2/c1-10-8-11(2-7-15(10)27(21,24)25)14-9-26-16(23-14)22-13-5-3-12(4-6-13)17(18,19)20/h2-9H,1H3,(H,22,23)(H2,21,24,25).
What are the key properties of 2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide?
2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide has a molecular weight of 413.45 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[4-(trifluoromethyl)anilino]-1,3-thiazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 175544581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).