N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide

C14H8ClF4NOS — CID 47026174

IUPACN-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccccc1SC(F)(F)F
InChIInChI=1S/C14H8ClF4NOS/c15-8-5-6-11(10(16)7-8)20-13(21)9-3-1-2-4-12(9)22-14(17,18)19/h1-7H,(H,20,21)
InChIKeyJHQNCNSCISQARV-UHFFFAOYSA-N
MW349.74 g/mol
LogP5.34
Rot. Bonds3

About N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide

N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide (PubChem CID 47026174) has the molecular formula C14H8ClF4NOS and a molecular weight of 349.74 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide
PubChem CID47026174
Molecular FormulaC14H8ClF4NOS
Molecular Weight349.74 g/mol
Exact Mass349.00
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccccc1SC(F)(F)F
InChIInChI=1S/C14H8ClF4NOS/c15-8-5-6-11(10(16)7-8)20-13(21)9-3-1-2-4-12(9)22-14(17,18)19/h1-7H,(H,20,21)
InChIKeyJHQNCNSCISQARV-UHFFFAOYSA-N
XLogP5.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.74
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichlorophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604341
N-(2,4-dichlorophenyl)-2-[[2-[(2,4-dichlorophenyl)carbamoyl]phenyl]disulfanyl]benzamide
CID 6483556
N-(2,5-dichlorophenyl)-2-methylsulfanylbenzamide
CID 848431
N-(4-chloro-2-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107362716
N-(4-chloro-2-fluorophenyl)-2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzamide
CID 9045013
N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)benzamide
CID 55604501
N-(4-chloro-2-fluorophenyl)-2-(difluoromethylsulfanyl)pyridine-3-carboxamide
CID 78804077
N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 2572466
4-[(2-chlorobenzoyl)amino]-3-fluorobenzoic acid
CID 63190036
2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
2-bromo-N-(4-chloro-2-fluorophenyl)pyridine-3-carboxamide
CID 103751818
N-(2,4-dichlorophenyl)-2-propan-2-ylsulfanylbenzamide
CID 17224609

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide (CID 47026174) is N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide is O=C(Nc1ccc(Cl)cc1F)c1ccccc1SC(F)(F)F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide?
The InChIKey is JHQNCNSCISQARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF4NOS/c15-8-5-6-11(10(16)7-8)20-13(21)9-3-1-2-4-12(9)22-14(17,18)19/h1-7H,(H,20,21).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide?
N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide has a molecular weight of 349.74 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(trifluoromethylsulfanyl)benzamide is sourced from PubChem (CID 47026174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).