4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide

C17H17Cl2NO3S2 — CID 3754145

IUPAC4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3S2/c1-12(21)13-5-7-14(8-6-13)25(22,23)20-9-10-24-11-15-16(18)3-2-4-17(15)19/h2-8,20H,9-11H2,1H3
InChIKeyZOICUJNVRZGIEW-UHFFFAOYSA-N
MW418.37 g/mol
LogP4.41
Rot. Bonds8

About 4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide

4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide (PubChem CID 3754145) has the molecular formula C17H17Cl2NO3S2 and a molecular weight of 418.37 g/mol. Its IUPAC name is 4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
PubChem CID3754145
Molecular FormulaC17H17Cl2NO3S2
Molecular Weight418.37 g/mol
Exact Mass417.00
IUPAC Name4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C17H17Cl2NO3S2/c1-12(21)13-5-7-14(8-6-13)25(22,23)20-9-10-24-11-15-16(18)3-2-4-17(15)19/h2-8,20H,9-11H2,1H3
InChIKeyZOICUJNVRZGIEW-UHFFFAOYSA-N
XLogP4.41
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 126035196
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]benzenesulfonamide
CID 2174897
4-acetyl-N-[2-(4-chlorophenyl)sulfanylethyl]benzenesulfonamide
CID 8801384
4-acetyl-N-(2-chloroethyl)benzenesulfonamide
CID 61286446
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]naphthalene-1-sulfonamide
CID 3513225
4-acetyl-N-propylbenzenesulfonamide
CID 2064043
4-acetyl-N-(3-chloro-2-methylphenyl)benzenesulfonamide
CID 7938770
3-acetyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzenesulfonamide
CID 8814206
N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 46772900
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 3829648
3-acetyl-N-[2-(3-hydroxypropylsulfanyl)ethyl]benzenesulfonamide
CID 103834850
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]-4-nitrobenzamide
CID 2177677

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide (CID 3754145) is 4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
The InChIKey is ZOICUJNVRZGIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S2/c1-12(21)13-5-7-14(8-6-13)25(22,23)20-9-10-24-11-15-16(18)3-2-4-17(15)19/h2-8,20H,9-11H2,1H3.
What are the key properties of 4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide?
4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide has a molecular weight of 418.37 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 3754145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).