2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

C10H10ClF3N2OS — CID 43304736

IUPAC2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cccc(Cl)c1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2OS/c11-6-2-1-3-7(15)9(6)18-4-8(17)16-5-10(12,13)14/h1-3H,4-5,15H2,(H,16,17)
InChIKeyLKVWUHUBBZCDPH-UHFFFAOYSA-N
MW298.72 g/mol
LogP2.69
Rot. Bonds4

About 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide

2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 43304736) has the molecular formula C10H10ClF3N2OS and a molecular weight of 298.72 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID43304736
Molecular FormulaC10H10ClF3N2OS
Molecular Weight298.72 g/mol
Exact Mass298.02
IUPAC Name2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cccc(Cl)c1SCC(=O)NCC(F)(F)F
InChIInChI=1S/C10H10ClF3N2OS/c11-6-2-1-3-7(15)9(6)18-4-8(17)16-5-10(12,13)14/h1-3H,4-5,15H2,(H,16,17)
InChIKeyLKVWUHUBBZCDPH-UHFFFAOYSA-N
XLogP2.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43249189
2-(2-amino-6-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 43304981
2-(2-amino-6-chlorophenyl)sulfanyl-N-benzylacetamide
CID 43304833
2-(4-amino-3-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79149534
4-[[2-(2-amino-6-chlorophenyl)sulfanylacetyl]amino]butanoic acid
CID 43304528
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 43305339
2-(2-amino-6-chlorophenyl)sulfanylacetic acid
CID 61318232
2-(2-amino-6-chlorophenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43304715
2-(2-amino-6-chlorophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 43304961
2-(2-amino-6-chlorophenyl)sulfanyl-N-cycloheptylacetamide
CID 43304756
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 43304793
2-(2-chloro-6-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 113423474

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide (CID 43304736) is 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is Nc1cccc(Cl)c1SCC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LKVWUHUBBZCDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2OS/c11-6-2-1-3-7(15)9(6)18-4-8(17)16-5-10(12,13)14/h1-3H,4-5,15H2,(H,16,17).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide?
2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 298.72 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfanyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 43304736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).