5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide

C14H8ClF4NO2S — CID 166523086

IUPAC5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C14H8ClF4NO2S/c15-10-5-9(12(21)6-11(10)16)13(22)20-7-1-3-8(4-2-7)23-14(17,18)19/h1-6,21H,(H,20,22)
InChIKeyULOMMGVKVFFVEP-UHFFFAOYSA-N
MW365.74 g/mol
LogP5.05
Rot. Bonds3

About 5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide

5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide (PubChem CID 166523086) has the molecular formula C14H8ClF4NO2S and a molecular weight of 365.74 g/mol. Its IUPAC name is 5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide
PubChem CID166523086
Molecular FormulaC14H8ClF4NO2S
Molecular Weight365.74 g/mol
Exact Mass364.99
IUPAC Name5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide
SMILESO=C(Nc1ccc(SC(F)(F)F)cc1)c1cc(Cl)c(F)cc1O
InChIInChI=1S/C14H8ClF4NO2S/c15-10-5-9(12(21)6-11(10)16)13(22)20-7-1-3-8(4-2-7)23-14(17,18)19/h1-6,21H,(H,20,22)
InChIKeyULOMMGVKVFFVEP-UHFFFAOYSA-N
XLogP5.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.74
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-4-fluoro-2-hydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 169122460
3-chloro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-4-carboxamide
CID 66484493
4,5-dichloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134151897
1-[(3-chloro-4-fluorophenyl)methyl]-3-[4-(trifluoromethylsulfanyl)phenyl]urea
CID 3533821
1-[4-(trifluoromethylsulfanyl)phenyl]-3-(3,4,5-trifluorophenyl)urea
CID 71568663
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026
4-chloro-N-(4-chloro-3-hydroxyphenyl)-2,5-difluorobenzamide
CID 82772330
6-fluoro-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-2-carboxamide
CID 115497260
CID 89279152
CID 89279152
5-bromo-4-chloro-2-hydroxy-N-[4-(trifluoromethyl)phenyl]benzamide
CID 134146320
N-(3-chloro-4-fluorophenyl)-2-hydroxy-5-iodobenzamide
CID 103602066
N-(4-chloro-3-fluorophenyl)-2-hydroxy-4-methylbenzamide
CID 60795096

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide?
The IUPAC name of 5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide (CID 166523086) is 5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide?
The canonical SMILES for 5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide is O=C(Nc1ccc(SC(F)(F)F)cc1)c1cc(Cl)c(F)cc1O.
What is the InChIKey of 5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide?
The InChIKey is ULOMMGVKVFFVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4NO2S/c15-10-5-9(12(21)6-11(10)16)13(22)20-7-1-3-8(4-2-7)23-14(17,18)19/h1-6,21H,(H,20,22).
What are the key properties of 5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide?
5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide has a molecular weight of 365.74 g/mol, XLogP of 5.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-fluoro-2-hydroxy-N-[4-(trifluoromethylsulfanyl)phenyl]benzamide is sourced from PubChem (CID 166523086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).