5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide

C20H12Cl2F3NO2S2 — CID 141233852

IUPAC5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1SSc1ccc(Cl)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C20H12Cl2F3NO2S2/c21-12-2-5-14(6-3-12)29-30-18-8-1-11(20(23,24)25)9-16(18)26-19(28)15-10-13(22)4-7-17(15)27/h1-10,27H,(H,26,28)
InChIKeyYGVCTSSQQKJDCT-UHFFFAOYSA-N
MW490.36 g/mol
LogP7.77
Rot. Bonds5

About 5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide

5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide (PubChem CID 141233852) has the molecular formula C20H12Cl2F3NO2S2 and a molecular weight of 490.36 g/mol. Its IUPAC name is 5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
PubChem CID141233852
Molecular FormulaC20H12Cl2F3NO2S2
Molecular Weight490.36 g/mol
Exact Mass488.96
IUPAC Name5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1SSc1ccc(Cl)cc1)c1cc(Cl)ccc1O
InChIInChI=1S/C20H12Cl2F3NO2S2/c21-12-2-5-14(6-3-12)29-30-18-8-1-11(20(23,24)25)9-16(18)26-19(28)15-10-13(22)4-7-17(15)27/h1-10,27H,(H,26,28)
InChIKeyYGVCTSSQQKJDCT-UHFFFAOYSA-N
XLogP7.77
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.36
LogP ≤ 57.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381236
5-chloro-2-hydroxy-N-[4-methyl-2-(trifluoromethyl)phenyl]benzamide
CID 167603991
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
3-[2-(5-chloro-2-hydroxybenzoyl)-4-(trifluoromethyl)anilino]-3-oxopropanoic acid
CID 21260376
5-chloro-2-hydroxy-N-(2-phenylsulfanylphenyl)benzamide
CID 3059478
N-[2-chloro-4-(trifluoromethyl)phenyl]-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 164621224
5-chloro-2-hydroxy-N-[2-[(1R,2R)-2-phenylcyclohexyl]oxy-5-(trifluoromethyl)phenyl]benzamide
CID 99866831
N-[2,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 23070350
5-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-hydroxybenzamide
CID 64793866
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034
5-chloro-2-hydroxy-N-(2,3,5-trifluorophenyl)benzamide
CID 62813735
N-(5-chloro-2-hydroxyphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 71508594

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The IUPAC name of 5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide (CID 141233852) is 5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The canonical SMILES for 5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide is O=C(Nc1cc(C(F)(F)F)ccc1SSc1ccc(Cl)cc1)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
The InChIKey is YGVCTSSQQKJDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3NO2S2/c21-12-2-5-14(6-3-12)29-30-18-8-1-11(20(23,24)25)9-16(18)26-19(28)15-10-13(22)4-7-17(15)27/h1-10,27H,(H,26,28).
What are the key properties of 5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide?
5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide has a molecular weight of 490.36 g/mol, XLogP of 7.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[(4-chlorophenyl)disulfanyl]-5-(trifluoromethyl)phenyl]-2-hydroxybenzamide is sourced from PubChem (CID 141233852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).