3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

C85H76F8N12O9S5 — CID 158792217

IUPAC3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESC=S(C)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1.C=S(N)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1.Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.Cc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1.Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H20O2S.C17H14F3N3OS.C17H15F2N3O2S.C16H13F3N4OS.C16H14N2O3S/c1-14-6-8-15(9-7-14)18-4-3-5-19(18)16-10-12-17(13-11-16)22(2,20)21;1-25(2,24)14-7-5-13(6-8-14)23-11-15(17(18,19)20)22-16(23)12-4-3-9-21-10-12;1-11-2-4-12(5-3-11)16-10-15(17(18)19)21-22(16)13-6-8-14(9-7-13)25(20,23)24;1-25(20,24)13-6-4-12(5-7-13)23-10-14(16(17,18)19)22-15(23)11-3-2-8-21-9-11;1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h6-13H,3-5H2,1-2H3;3-11H,1H2,2H3;2-10,17H,1H3,(H2,20,23,24);2-10H,1H2,(H2,20,24);2-10H,1H3,(H2,17,19,20)
InChIKeyISKOUVJNGDERJX-UHFFFAOYSA-N
MW1721.94 g/mol
LogP17.45
Rot. Bonds16

About 3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 158792217) has the molecular formula C85H76F8N12O9S5 and a molecular weight of 1721.94 g/mol. Its IUPAC name is 3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID158792217
Molecular FormulaC85H76F8N12O9S5
Molecular Weight1721.94 g/mol
Exact Mass1720.43
IUPAC Name3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESC=S(C)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1.C=S(N)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1.Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.Cc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1.Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C19H20O2S.C17H14F3N3OS.C17H15F2N3O2S.C16H13F3N4OS.C16H14N2O3S/c1-14-6-8-15(9-7-14)18-4-3-5-19(18)16-10-12-17(13-11-16)22(2,20)21;1-25(2,24)14-7-5-13(6-8-14)23-11-15(17(18,19)20)22-16(23)12-4-3-9-21-10-12;1-11-2-4-12(5-3-11)16-10-15(17(18)19)21-22(16)13-6-8-14(9-7-13)25(20,23)24;1-25(20,24)13-6-4-12(5-7-13)23-10-14(16(17,18)19)22-15(23)11-3-2-8-21-9-11;1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h6-13H,3-5H2,1-2H3;3-11H,1H2,2H3;2-10,17H,1H3,(H2,20,23,24);2-10H,1H2,(H2,20,24);2-10H,1H3,(H2,17,19,20)
InChIKeyISKOUVJNGDERJX-UHFFFAOYSA-N
XLogP17.45
TPSA319.89 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds16
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001721.94
LogP ≤ 517.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide with MolForge

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Related Compounds

4-[3-(4-Chlorophenyl)-2-oxo-1,3-oxazol-4-yl]benzenesulfonamide;4-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;4-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;3-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]benzenesulfonamide
CID 157809976
3-[1-[4-(amino-methylidene-oxo-lambda6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[1-(4-chlorophenyl)-2-oxo-3H-pyrrol-5-yl]benzenesulfonamide;bis(4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide);4-(2-phenylphenyl)benzenesulfonamide
CID 161177329
3-Methyl-4-phenyl-5-propan-2-yl-1,2-oxazole;1-methyl-5-phenyl-4-propan-2-ylpyrazole;4-phenyl-5-propan-2-yl-1,2-oxazole;1-phenyl-2-propan-2-ylpentazol-2-ium;bis(1-phenyl-5-propan-2-ylpyrazole);2-phenyl-3-propan-2-ylthiophene;3-phenyl-2-propan-2-ylthiophene;3-phenyl-4-propan-2-ylthiophene;1-phenyl-5-propan-2-yltriazole;3-phenyl-4-propan-2-yl-1,2,4-triazole
CID 158550284

Frequently Asked Questions

What is the IUPAC name of 3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 158792217) is 3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide is C=S(C)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1.C=S(N)(=O)c1ccc(-n2cc(C(F)(F)F)nc2-c2cccnc2)cc1.Cc1ccc(-c2cc(C(F)F)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.Cc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1.Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is ISKOUVJNGDERJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O2S.C17H14F3N3OS.C17H15F2N3O2S.C16H13F3N4OS.C16H14N2O3S/c1-14-6-8-15(9-7-14)18-4-3-5-19(18)16-10-12-17(13-11-16)22(2,20)21;1-25(2,24)14-7-5-13(6-8-14)23-11-15(17(18,19)20)22-16(23)12-4-3-9-21-10-12;1-11-2-4-12(5-3-11)16-10-15(17(18)19)21-22(16)13-6-8-14(9-7-13)25(20,23)24;1-25(20,24)13-6-4-12(5-7-13)23-10-14(16(17,18)19)22-15(23)11-3-2-8-21-9-11;1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h6-13H,3-5H2,1-2H3;3-11H,1H2,2H3;2-10,17H,1H3,(H2,20,23,24);2-10H,1H2,(H2,20,24);2-10H,1H3,(H2,17,19,20).
What are the key properties of 3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide?
3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 1721.94 g/mol, XLogP of 17.45, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[4-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]-4-(trifluoromethyl)imidazol-2-yl]pyridine;4-[3-(difluoromethyl)-5-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide;methyl-methylidene-oxo-[4-[2-pyridin-3-yl-4-(trifluoromethyl)imidazol-1-yl]phenyl]-λ6-sulfane;1-methyl-4-[2-(4-methylsulfonylphenyl)cyclopenten-1-yl]benzene;4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 158792217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).