2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride

C14H12Cl3NOS — CID 141029178

IUPAC2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride
SMILESCl.Nc1cc(Cl)c(Cl)c(SCC(=O)c2ccccc2)c1
InChIInChI=1S/C14H11Cl2NOS.ClH/c15-11-6-10(17)7-13(14(11)16)19-8-12(18)9-4-2-1-3-5-9;/h1-7H,8,17H2;1H
InChIKeyASFIWQCQTAPHEW-UHFFFAOYSA-N
MW348.68 g/mol
LogP4.97
Rot. Bonds4

About 2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride

2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride (PubChem CID 141029178) has the molecular formula C14H12Cl3NOS and a molecular weight of 348.68 g/mol. Its IUPAC name is 2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride
PubChem CID141029178
Molecular FormulaC14H12Cl3NOS
Molecular Weight348.68 g/mol
Exact Mass346.97
IUPAC Name2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride
SMILESCl.Nc1cc(Cl)c(Cl)c(SCC(=O)c2ccccc2)c1
InChIInChI=1S/C14H11Cl2NOS.ClH/c15-11-6-10(17)7-13(14(11)16)19-8-12(18)9-4-2-1-3-5-9;/h1-7H,8,17H2;1H
InChIKeyASFIWQCQTAPHEW-UHFFFAOYSA-N
XLogP4.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.68
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-chloro-2-fluorophenyl)sulfanyl-1-phenylethanone
CID 54255060
2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-1-phenylethanone
CID 4744333
2-(2-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethanone
CID 43412234
2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
CID 15879978
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanone
CID 43412223
1-(4-chlorophenyl)-2-(2-methylphenyl)sulfanylethanone
CID 51889916
2-amino-3-phenacylsulfanylpropanamide;hydrochloride
CID 68821201
2-[[8-chloro-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-1-phenylethanone
CID 18283011
2-[[5-(3-aminophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
CID 21371197
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 66142157
1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)sulfanylethanone
CID 79700591
2-amino-6-phenacylsulfanylpyridin-1-ium-3,5-dicarbonitrile
CID 4743021

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride?
The IUPAC name of 2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride (CID 141029178) is 2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride.
What is the SMILES notation for 2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride?
The canonical SMILES for 2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride is Cl.Nc1cc(Cl)c(Cl)c(SCC(=O)c2ccccc2)c1.
What is the InChIKey of 2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride?
The InChIKey is ASFIWQCQTAPHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NOS.ClH/c15-11-6-10(17)7-13(14(11)16)19-8-12(18)9-4-2-1-3-5-9;/h1-7H,8,17H2;1H.
What are the key properties of 2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride?
2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride has a molecular weight of 348.68 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2,3-dichlorophenyl)sulfanyl-1-phenylethanone;hydrochloride is sourced from PubChem (CID 141029178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).