2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C15H12ClF3N2OS — CID 2726066

IUPAC2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESNc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H12ClF3N2OS/c16-10-6-5-9(15(17,18)19)7-12(10)21-14(22)8-23-13-4-2-1-3-11(13)20/h1-7H,8,20H2,(H,21,22)
InChIKeyVNTCYXPWCGYHRC-UHFFFAOYSA-N
MW360.79 g/mol
LogP4.67
Rot. Bonds4

About 2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2726066) has the molecular formula C15H12ClF3N2OS and a molecular weight of 360.79 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2726066
Molecular FormulaC15H12ClF3N2OS
Molecular Weight360.79 g/mol
Exact Mass360.03
IUPAC Name2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESNc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C15H12ClF3N2OS/c16-10-6-5-9(15(17,18)19)7-12(10)21-14(22)8-23-13-4-2-1-3-11(13)20/h1-7H,8,20H2,(H,21,22)
InChIKeyVNTCYXPWCGYHRC-UHFFFAOYSA-N
XLogP4.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.79
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 2726066) is 2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is Nc1ccccc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is VNTCYXPWCGYHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3N2OS/c16-10-6-5-9(15(17,18)19)7-12(10)21-14(22)8-23-13-4-2-1-3-11(13)20/h1-7H,8,20H2,(H,21,22).
What are the key properties of 2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 360.79 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2726066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).