2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide

C10H9ClF3NOS — CID 78780256

IUPAC2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NOS/c1-17-6-2-3-8(11)7(4-6)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyKHPPOWQRRBDGAM-UHFFFAOYSA-N
MW283.70 g/mol
LogP3.35
Rot. Bonds3

About 2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide

2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 78780256) has the molecular formula C10H9ClF3NOS and a molecular weight of 283.70 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID78780256
Molecular FormulaC10H9ClF3NOS
Molecular Weight283.70 g/mol
Exact Mass283.00
IUPAC Name2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCSc1ccc(Cl)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H9ClF3NOS/c1-17-6-2-3-8(11)7(4-6)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyKHPPOWQRRBDGAM-UHFFFAOYSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methylsulfanylbenzamide
CID 109380612
2-chloro-N-(2-hydroxy-2-phenylpropyl)-5-methylsulfanylbenzamide
CID 111335170
N-(2-aminoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 61379070
N-(2-bromoethyl)-2-chloro-5-methylsulfanylbenzamide
CID 114307468
2-chloro-5-sulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 107021740
4-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78791752
2-chloro-N-(2-ethylbutyl)-5-methylsulfanylbenzamide
CID 115612538
2-chloro-5-nitroso-N-(2,2,2-trifluoroethyl)benzamide
CID 174879581
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfanylbenzamide
CID 26692390
(2S)-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-2-hydroxypropanoic acid
CID 114006398
2-chloro-N-(5-hydroxypentyl)-5-methylsulfanylbenzamide
CID 107319089
N-[(1-aminocyclobutyl)methyl]-2-chloro-5-methylsulfanylbenzamide
CID 113412029

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide (CID 78780256) is 2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide is CSc1ccc(Cl)c(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is KHPPOWQRRBDGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NOS/c1-17-6-2-3-8(11)7(4-6)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide?
2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 283.70 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 78780256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).