N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide

C10H13Cl2NO2S2 — CID 2177616

IUPACN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCSCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2S2/c1-17(14,15)13-5-6-16-7-8-9(11)3-2-4-10(8)12/h2-4,13H,5-7H2,1H3
InChIKeyXYGZUFSTVVOZFU-UHFFFAOYSA-N
MW314.26 g/mol
LogP2.78
Rot. Bonds6

About N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide

N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide (PubChem CID 2177616) has the molecular formula C10H13Cl2NO2S2 and a molecular weight of 314.26 g/mol. Its IUPAC name is N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide
PubChem CID2177616
Molecular FormulaC10H13Cl2NO2S2
Molecular Weight314.26 g/mol
Exact Mass312.98
IUPAC NameN-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCSCc1c(Cl)cccc1Cl
InChIInChI=1S/C10H13Cl2NO2S2/c1-17(14,15)13-5-6-16-7-8-9(11)3-2-4-10(8)12/h2-4,13H,5-7H2,1H3
InChIKeyXYGZUFSTVVOZFU-UHFFFAOYSA-N
XLogP2.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 52.78
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 N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide (CID 2177616) is N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide is CS(=O)(=O)NCCSCc1c(Cl)cccc1Cl.
What is the InChIKey of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide?
The InChIKey is XYGZUFSTVVOZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S2/c1-17(14,15)13-5-6-16-7-8-9(11)3-2-4-10(8)12/h2-4,13H,5-7H2,1H3.
What are the key properties of N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide?
N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide has a molecular weight of 314.26 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dichlorophenyl)methylsulfanyl]ethyl]methanesulfonamide is sourced from PubChem (CID 2177616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).