2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide

C17H17Cl3N2O3S2 — CID 43909164

IUPAC2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCSCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl3N2O3S2/c1-27(24,25)22-11-5-6-16(20)12(9-11)17(23)21-7-8-26-10-13-14(18)3-2-4-15(13)19/h2-6,9,22H,7-8,10H2,1H3,(H,21,23)
InChIKeyCFYYXLIYFMRJAA-UHFFFAOYSA-N
MW467.83 g/mol
LogP4.68
Rot. Bonds8

About 2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide

2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide (PubChem CID 43909164) has the molecular formula C17H17Cl3N2O3S2 and a molecular weight of 467.83 g/mol. Its IUPAC name is 2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide
PubChem CID43909164
Molecular FormulaC17H17Cl3N2O3S2
Molecular Weight467.83 g/mol
Exact Mass465.97
IUPAC Name2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide
SMILESCS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCSCc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C17H17Cl3N2O3S2/c1-27(24,25)22-11-5-6-16(20)12(9-11)17(23)21-7-8-26-10-13-14(18)3-2-4-15(13)19/h2-6,9,22H,7-8,10H2,1H3,(H,21,23)
InChIKeyCFYYXLIYFMRJAA-UHFFFAOYSA-N
XLogP4.68
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.83
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide 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

N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-methylbenzamide
CID 2176230
5-(benzenesulfonamido)-N-(2-benzylsulfanylethyl)-2-chlorobenzamide
CID 30400846
2-chloro-5-(methanesulfonamido)-N-(3-methoxypropyl)benzamide
CID 53283791
2-chloro-N-[(3-fluorophenyl)methyl]-5-(methanesulfonamido)benzamide
CID 53283727
2-chloro-N-[3-(4-fluorophenyl)propyl]-5-(methanesulfonamido)benzamide
CID 28635620
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-4-(methanesulfonamido)benzamide
CID 3691237
2-chloro-5-(methanesulfonamido)-N-(2-phenylpropyl)benzamide
CID 133239711
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-fluoro-N-methylsulfonylanilino)acetamide
CID 126033516
4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 46762901
2-chloro-4-(methanesulfonamido)-N-(2-methoxyethyl)benzamide
CID 38003506
N-(4-acetamidophenyl)-2-chloro-5-(methanesulfonamido)benzamide
CID 30397176
2-chloro-N-(4-chlorophenyl)-5-(methanesulfonamido)benzamide
CID 92685896

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide?
The IUPAC name of 2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide (CID 43909164) is 2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide.
What is the SMILES notation for 2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide?
The canonical SMILES for 2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide is CS(=O)(=O)Nc1ccc(Cl)c(C(=O)NCCSCc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide?
The InChIKey is CFYYXLIYFMRJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O3S2/c1-27(24,25)22-11-5-6-16(20)12(9-11)17(23)21-7-8-26-10-13-14(18)3-2-4-15(13)19/h2-6,9,22H,7-8,10H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide?
2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide has a molecular weight of 467.83 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-5-(methanesulfonamido)benzamide is sourced from PubChem (CID 43909164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).