2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide

C23H20Cl4N2O3S2 — CID 22305039

IUPAC2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1Cl)NCCSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H20Cl4N2O3S2/c24-16-7-6-15(18(25)12-16)14-33-11-10-28-21(30)13-29-19-8-9-20(23(27)22(19)26)34(31,32)17-4-2-1-3-5-17/h1-9,12,29H,10-11,13-14H2,(H,28,30)
InChIKeyGXURVGVAXDUGDR-UHFFFAOYSA-N
MW578.37 g/mol
LogP6.59
Rot. Bonds10

About 2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide

2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide (PubChem CID 22305039) has the molecular formula C23H20Cl4N2O3S2 and a molecular weight of 578.37 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
PubChem CID22305039
Molecular FormulaC23H20Cl4N2O3S2
Molecular Weight578.37 g/mol
Exact Mass575.97
IUPAC Name2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
SMILESO=C(CNc1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1Cl)NCCSCc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H20Cl4N2O3S2/c24-16-7-6-15(18(25)12-16)14-33-11-10-28-21(30)13-29-19-8-9-20(23(27)22(19)26)34(31,32)17-4-2-1-3-5-17/h1-9,12,29H,10-11,13-14H2,(H,28,30)
InChIKeyGXURVGVAXDUGDR-UHFFFAOYSA-N
XLogP6.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.37
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromo-3-methylsulfonylanilino)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 22305027
N-(2-benzylsulfanylethyl)-3-(2,4-dichlorophenyl)propanamide
CID 100605659
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(2-nitrophenyl)acetamide
CID 126180632
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(4-ethylphenyl)acetamide
CID 100554672
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 2914504
2-(4-chlorophenoxy)-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 2290637
2-[N-(benzenesulfonyl)-2,5-dimethoxyanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide
CID 3962590
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]cyclopentanecarboxamide
CID 100621291
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]-2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)acetamide
CID 43899692
N-[(2,4-dichlorophenyl)methyl]-2-(2-methylsulfonylanilino)acetamide
CID 22304575
N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide
CID 91647284
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]acetamide
CID 51344999

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
The IUPAC name of 2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide (CID 22305039) is 2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide.
What is the SMILES notation for 2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
The canonical SMILES for 2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide is O=C(CNc1ccc(S(=O)(=O)c2ccccc2)c(Cl)c1Cl)NCCSCc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
The InChIKey is GXURVGVAXDUGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl4N2O3S2/c24-16-7-6-15(18(25)12-16)14-33-11-10-28-21(30)13-29-19-8-9-20(23(27)22(19)26)34(31,32)17-4-2-1-3-5-17/h1-9,12,29H,10-11,13-14H2,(H,28,30).
What are the key properties of 2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide?
2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide has a molecular weight of 578.37 g/mol, XLogP of 6.59, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonyl)-2,3-dichloroanilino]-N-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]acetamide is sourced from PubChem (CID 22305039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).