2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide

C14H11Cl3N2OS — CID 43251034

IUPAC2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
SMILESNc1cc(Cl)ccc1SCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl3N2OS/c15-8-4-5-12(11(18)6-8)21-7-13(20)19-14-9(16)2-1-3-10(14)17/h1-6H,7,18H2,(H,19,20)
InChIKeyFIROBBBQBYOWFK-UHFFFAOYSA-N
MW361.68 g/mol
LogP4.96
Rot. Bonds4

About 2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide

2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide (PubChem CID 43251034) has the molecular formula C14H11Cl3N2OS and a molecular weight of 361.68 g/mol. Its IUPAC name is 2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
PubChem CID43251034
Molecular FormulaC14H11Cl3N2OS
Molecular Weight361.68 g/mol
Exact Mass359.97
IUPAC Name2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
SMILESNc1cc(Cl)ccc1SCC(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C14H11Cl3N2OS/c15-8-4-5-12(11(18)6-8)21-7-13(20)19-14-9(16)2-1-3-10(14)17/h1-6H,7,18H2,(H,19,20)
InChIKeyFIROBBBQBYOWFK-UHFFFAOYSA-N
XLogP4.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.68
LogP ≤ 54.96
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-(4-amino-2-fluorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43303659
N-(2-amino-4-chlorophenyl)-2-(2-fluorophenyl)sulfanylacetamide
CID 29278790
2-(2,5-dichlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 2536490
2-(2-amino-4-chlorophenyl)sulfanyl-N-benzylacetamide
CID 28973867
N-[2-(2-amino-4-chlorophenyl)sulfanylacetyl]benzamide
CID 43250778
2-(4-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide
CID 43299333
2-(2-amino-4-chlorophenyl)sulfanyl-N-[(4-chlorophenyl)methyl]acetamide
CID 43250933
2-(4-amino-2-chlorophenyl)sulfanyl-N-(2,6-difluorophenyl)acetamide
CID 43305241
N-(2-amino-6-methylphenyl)-2-(2-chlorophenyl)sulfanylacetamide
CID 43377074
2-(2-amino-4-methylphenyl)sulfanyl-N-(3-chloro-2-methylphenyl)acetamide
CID 43302526
2-(2-hydroxyphenyl)sulfanyl-N-(2,4,6-trichlorophenyl)acetamide
CID 62000709
3-(2-aminophenyl)sulfanyl-N-(2,6-dichlorophenyl)propanamide
CID 43248841

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide?
The IUPAC name of 2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide (CID 43251034) is 2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide is Nc1cc(Cl)ccc1SCC(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide?
The InChIKey is FIROBBBQBYOWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3N2OS/c15-8-4-5-12(11(18)6-8)21-7-13(20)19-14-9(16)2-1-3-10(14)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide?
2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide has a molecular weight of 361.68 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorophenyl)sulfanyl-N-(2,6-dichlorophenyl)acetamide is sourced from PubChem (CID 43251034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).