2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide

C14H11BrCl2N2OS — CID 79519414

IUPAC2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
SMILESNc1ccc(Br)cc1SCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H11BrCl2N2OS/c15-8-4-5-10(18)12(6-8)21-7-13(20)19-11-3-1-2-9(16)14(11)17/h1-6H,7,18H2,(H,19,20)
InChIKeySZURJZUVBYKRMQ-UHFFFAOYSA-N
MW406.13 g/mol
LogP5.07
Rot. Bonds4

About 2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide

2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide (PubChem CID 79519414) has the molecular formula C14H11BrCl2N2OS and a molecular weight of 406.13 g/mol. Its IUPAC name is 2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
PubChem CID79519414
Molecular FormulaC14H11BrCl2N2OS
Molecular Weight406.13 g/mol
Exact Mass403.92
IUPAC Name2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
SMILESNc1ccc(Br)cc1SCC(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C14H11BrCl2N2OS/c15-8-4-5-10(18)12(6-8)21-7-13(20)19-11-3-1-2-9(16)14(11)17/h1-6H,7,18H2,(H,19,20)
InChIKeySZURJZUVBYKRMQ-UHFFFAOYSA-N
XLogP5.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.13
LogP ≤ 55.07
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-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
2-(2-amino-5-bromophenyl)sulfanyl-N-(5-chloro-2-methylphenyl)acetamide
CID 79524833
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-bromophenyl)acetamide
CID 79533863
2-(2-amino-5-bromophenyl)sulfanyl-N-(3-fluorophenyl)acetamide
CID 79533619
2-(2-amino-5-bromophenyl)sulfanyl-N-(2-bromo-4-methylphenyl)acetamide
CID 79519578
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-chloro-4-methylphenyl)acetamide
CID 79127095
2-(2-amino-5-bromophenyl)sulfanyl-N-(4-fluorophenyl)acetamide
CID 79533282
2-(2-amino-5-fluorophenyl)sulfanyl-N-(2,4-dibromophenyl)acetamide
CID 79126805
2-(2-amino-3-methylphenyl)sulfanyl-N-(4-bromo-2-chlorophenyl)acetamide
CID 79130949
2-(4-bromophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 1346170
2-(2-amino-5-methylphenyl)sulfanyl-N-(2-bromophenyl)acetamide
CID 79143132
2-(3-aminopyrazin-2-yl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 106678563

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide?
The IUPAC name of 2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide (CID 79519414) is 2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide?
The canonical SMILES for 2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide is Nc1ccc(Br)cc1SCC(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide?
The InChIKey is SZURJZUVBYKRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N2OS/c15-8-4-5-10(18)12(6-8)21-7-13(20)19-11-3-1-2-9(16)14(11)17/h1-6H,7,18H2,(H,19,20).
What are the key properties of 2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide?
2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide has a molecular weight of 406.13 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-bromophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide is sourced from PubChem (CID 79519414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).