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

C21H21ClFNOS — CID 121391197

IUPACN-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide
SMILESC=Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1SC1CCCCC1
InChIInChI=1S/C21H21ClFNOS/c1-2-14-8-9-15(12-20(14)26-17-6-4-3-5-7-17)21(25)24-16-10-11-19(23)18(22)13-16/h2,8-13,17H,1,3-7H2,(H,24,25)
InChIKeySYBSFPBGJCUYNB-UHFFFAOYSA-N
MW389.92 g/mol
LogP6.80
Rot. Bonds5

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

N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide (PubChem CID 121391197) has the molecular formula C21H21ClFNOS and a molecular weight of 389.92 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide
PubChem CID121391197
Molecular FormulaC21H21ClFNOS
Molecular Weight389.92 g/mol
Exact Mass389.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide
SMILESC=Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1SC1CCCCC1
InChIInChI=1S/C21H21ClFNOS/c1-2-14-8-9-15(12-20(14)26-17-6-4-3-5-7-17)21(25)24-16-10-11-19(23)18(22)13-16/h2,8-13,17H,1,3-7H2,(H,24,25)
InChIKeySYBSFPBGJCUYNB-UHFFFAOYSA-N
XLogP6.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.92
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-fluoro-3-[(1S,3S)-3-hydroxycycloheptyl]sulfanylbenzamide
CID 121364104
N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-propylbenzamide
CID 121391204
N-(3-chloro-4-fluorophenyl)-3-(4-hydroxycyclohexyl)sulfanyl-4-methylbenzamide
CID 121370731
4-chloro-3-cyclohexylsulfanyl-N-(3-fluorophenyl)benzamide
CID 145366635
3-[5-[(3-chloro-4-fluorophenyl)carbamoyl]-2-fluorophenyl]sulfanylcyclopentane-1-carboxylic acid
CID 121364084
N-(3-chloro-4-fluorophenyl)-3-[(3R)-3-hydroxycycloheptyl]sulfanylbenzamide
CID 121370723
N-(3-chloro-4-fluorophenyl)-3-(3,3-dimethylcyclohexyl)sulfanyl-4-iodobenzamide
CID 121391203
N-(3-chloro-4-fluorophenyl)-4-iodo-3-(oxolan-3-ylsulfanyl)benzamide
CID 121391201
4-chloro-N-(3,4-difluorophenyl)-3-(3-hydroxy-3-prop-2-enylcyclobutyl)sulfanylbenzamide
CID 142538086
2-chloro-N-(3-chloro-4-fluorophenyl)quinoline-6-carboxamide
CID 55731814
4-chloro-N-(2-cyano-4-pyridinyl)-3-cyclohexylsulfanylbenzamide
CID 145366587
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide (CID 121391197) is N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide is C=Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1SC1CCCCC1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide?
The InChIKey is SYBSFPBGJCUYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFNOS/c1-2-14-8-9-15(12-20(14)26-17-6-4-3-5-7-17)21(25)24-16-10-11-19(23)18(22)13-16/h2,8-13,17H,1,3-7H2,(H,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide?
N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide has a molecular weight of 389.92 g/mol, XLogP of 6.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-cyclohexylsulfanyl-4-ethenylbenzamide is sourced from PubChem (CID 121391197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).