4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide

C17H15F4NO2S — CID 121364144

IUPAC4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(SCCCCO)c1
InChIInChI=1S/C17H15F4NO2S/c18-12-4-3-10(7-15(12)25-6-2-1-5-23)17(24)22-11-8-13(19)16(21)14(20)9-11/h3-4,7-9,23H,1-2,5-6H2,(H,22,24)
InChIKeyRDOYXVZGVRGWPF-UHFFFAOYSA-N
MW373.37 g/mol
LogP4.36
Rot. Bonds7

About 4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide

4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide (PubChem CID 121364144) has the molecular formula C17H15F4NO2S and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide
PubChem CID121364144
Molecular FormulaC17H15F4NO2S
Molecular Weight373.37 g/mol
Exact Mass373.08
IUPAC Name4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(SCCCCO)c1
InChIInChI=1S/C17H15F4NO2S/c18-12-4-3-10(7-15(12)25-6-2-1-5-23)17(24)22-11-8-13(19)16(21)14(20)9-11/h3-4,7-9,23H,1-2,5-6H2,(H,22,24)
InChIKeyRDOYXVZGVRGWPF-UHFFFAOYSA-N
XLogP4.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-tert-butylsulfanyl-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 121364031
4-chloro-3-propylsulfanyl-N-(3,4,5-trifluorophenyl)benzamide
CID 130397494
3-[(1-ethylcyclopropyl)methylsulfanyl]-4-fluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 145095059
4-chloro-3-methylsulfanyl-N-(3,4,5-trifluorophenyl)benzamide;hex-5-en-1-ol;propane
CID 145366809
3-(3-hydroxybutylsulfanyl)-4-iodo-N-(3,4,5-trifluorophenyl)benzamide
CID 121391149
5-(2,5-difluorophenyl)sulfanylpentan-1-ol
CID 62226939
4-chloro-3-[1-(3-hydroxypropyl)cyclohexyl]sulfanyl-N-(3,4,5-trifluorophenyl)benzamide
CID 130425065
4-chloro-3-[2-(3-hydroxypropyl)-4-methyl-5-(methylamino)pentyl]sulfanyl-N-(3,4,5-trifluorophenyl)benzamide
CID 145366699
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233
3-benzylsulfanyl-4-chloro-N-(3,4,5-trifluorophenyl)benzamide
CID 145366762
3-decylsulfanyl-4-fluorobenzoic acid
CID 80554735
4-fluoro-3-hexylsulfanylbenzoic acid
CID 80556462

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide?
The IUPAC name of 4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide (CID 121364144) is 4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide.
What is the SMILES notation for 4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide?
The canonical SMILES for 4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide is O=C(Nc1cc(F)c(F)c(F)c1)c1ccc(F)c(SCCCCO)c1.
What is the InChIKey of 4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide?
The InChIKey is RDOYXVZGVRGWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F4NO2S/c18-12-4-3-10(7-15(12)25-6-2-1-5-23)17(24)22-11-8-13(19)16(21)14(20)9-11/h3-4,7-9,23H,1-2,5-6H2,(H,22,24).
What are the key properties of 4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide?
4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide has a molecular weight of 373.37 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(4-hydroxybutylsulfanyl)-N-(3,4,5-trifluorophenyl)benzamide is sourced from PubChem (CID 121364144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).