4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide

C10H10BrCl2F2NO3S — CID 103081918

IUPAC4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOCC(F)F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H10BrCl2F2NO3S/c11-6-3-7(12)10(8(13)4-6)20(17,18)16-1-2-19-5-9(14)15/h3-4,9,16H,1-2,5H2
InChIKeyMIRSSUHKOGENOO-UHFFFAOYSA-N
MW413.07 g/mol
LogP3.32
Rot. Bonds7

About 4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide

4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide (PubChem CID 103081918) has the molecular formula C10H10BrCl2F2NO3S and a molecular weight of 413.07 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide
PubChem CID103081918
Molecular FormulaC10H10BrCl2F2NO3S
Molecular Weight413.07 g/mol
Exact Mass410.89
IUPAC Name4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOCC(F)F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C10H10BrCl2F2NO3S/c11-6-3-7(12)10(8(13)4-6)20(17,18)16-1-2-19-5-9(14)15/h3-4,9,16H,1-2,5H2
InChIKeyMIRSSUHKOGENOO-UHFFFAOYSA-N
XLogP3.32
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.07
LogP ≤ 53.32
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 4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide (CID 103081918) is 4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide is O=S(=O)(NCCOCC(F)F)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide?
The InChIKey is MIRSSUHKOGENOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrCl2F2NO3S/c11-6-3-7(12)10(8(13)4-6)20(17,18)16-1-2-19-5-9(14)15/h3-4,9,16H,1-2,5H2.
What are the key properties of 4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide has a molecular weight of 413.07 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-[2-(2,2-difluoroethoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 103081918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).