2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide

C13H17Cl2NO2S2 — CID 34270274

IUPAC2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCSC1CCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO2S2/c14-11-6-3-7-12(15)13(11)20(17,18)16-8-9-19-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2
InChIKeyXYPYYLJNUDXGPD-UHFFFAOYSA-N
MW354.32 g/mol
LogP3.95
Rot. Bonds6

About 2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide

2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide (PubChem CID 34270274) has the molecular formula C13H17Cl2NO2S2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide
PubChem CID34270274
Molecular FormulaC13H17Cl2NO2S2
Molecular Weight354.32 g/mol
Exact Mass353.01
IUPAC Name2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCSC1CCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C13H17Cl2NO2S2/c14-11-6-3-7-12(15)13(11)20(17,18)16-8-9-19-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2
InChIKeyXYPYYLJNUDXGPD-UHFFFAOYSA-N
XLogP3.95
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide (CID 34270274) is 2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide is O=S(=O)(NCCSC1CCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide?
The InChIKey is XYPYYLJNUDXGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2S2/c14-11-6-3-7-12(15)13(11)20(17,18)16-8-9-19-10-4-1-2-5-10/h3,6-7,10,16H,1-2,4-5,8-9H2.
What are the key properties of 2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide?
2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide has a molecular weight of 354.32 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-cyclopentylsulfanylethyl)benzenesulfonamide is sourced from PubChem (CID 34270274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).