4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide

C19H19ClFNOS — CID 145366635

IUPAC4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Cl)c(SC2CCCCC2)c1
InChIInChI=1S/C19H19ClFNOS/c20-17-10-9-13(11-18(17)24-16-7-2-1-3-8-16)19(23)22-15-6-4-5-14(21)12-15/h4-6,9-12,16H,1-3,7-8H2,(H,22,23)
InChIKeyNSGREJURSDWGHG-UHFFFAOYSA-N
MW363.89 g/mol
LogP6.16
Rot. Bonds4

About 4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide

4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide (PubChem CID 145366635) has the molecular formula C19H19ClFNOS and a molecular weight of 363.89 g/mol. Its IUPAC name is 4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide
PubChem CID145366635
Molecular FormulaC19H19ClFNOS
Molecular Weight363.89 g/mol
Exact Mass363.09
IUPAC Name4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide
SMILESO=C(Nc1cccc(F)c1)c1ccc(Cl)c(SC2CCCCC2)c1
InChIInChI=1S/C19H19ClFNOS/c20-17-10-9-13(11-18(17)24-16-7-2-1-3-8-16)19(23)22-15-6-4-5-14(21)12-15/h4-6,9-12,16H,1-3,7-8H2,(H,22,23)
InChIKeyNSGREJURSDWGHG-UHFFFAOYSA-N
XLogP6.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.89
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-cyano-4-pyridinyl)-3-cyclohexylsulfanylbenzamide
CID 145366587
3-bromo-4-chloro-N-(3-fluorophenyl)benzamide
CID 107999213
4-chloro-3-(4-hydroxycycloheptyl)sulfanyl-N-(3,4,5-trifluorophenyl)benzamide
CID 130425070
N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide
CID 121391197
N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide
CID 121391204
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(1S,3S)-3-hydroxycycloheptyl]sulfanylbenzamide
CID 121364104
4-chloro-3-[(8-hydroxy-3-bicyclo[3.2.1]octanyl)sulfanyl]-N-(3,4,5-trifluorophenyl)benzamide
CID 130401598
4-chloro-3-[(3S,5R)-3,5-dihydroxycyclohexyl]sulfanyl-N-(3,4,5-trifluorophenyl)benzamide
CID 130397361
4-chloro-3-(4-hydroxy-5-methylcycloheptyl)sulfanyl-N-(3,4,5-trifluorophenyl)benzamide;ethane
CID 145366742
4-chloro-3-(7-oxooxepan-3-yl)sulfanyl-N-(3,4,5-trifluorophenyl)benzamide
CID 147382689
4-chloro-N-(3-fluorophenyl)-3-[[(2S)-oxolan-2-yl]methylsulfamoyl]benzamide
CID 8017104
3-bromo-4-fluoro-N-(3-fluorophenyl)benzamide
CID 103706269

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide?
The IUPAC name of 4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide (CID 145366635) is 4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide.
What is the SMILES notation for 4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide?
The canonical SMILES for 4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide is O=C(Nc1cccc(F)c1)c1ccc(Cl)c(SC2CCCCC2)c1.
What is the InChIKey of 4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide?
The InChIKey is NSGREJURSDWGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNOS/c20-17-10-9-13(11-18(17)24-16-7-2-1-3-8-16)19(23)22-15-6-4-5-14(21)12-15/h4-6,9-12,16H,1-3,7-8H2,(H,22,23).
What are the key properties of 4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide?
4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide has a molecular weight of 363.89 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide is sourced from PubChem (CID 145366635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).