4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide

C10H9Br2Cl2F2NO2S — CID 107492750

IUPAC4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCBr)CC(F)F
InChIInChI=1S/C10H9Br2Cl2F2NO2S/c11-1-2-17(5-9(15)16)20(18,19)10-7(13)3-6(12)4-8(10)14/h3-4,9H,1-2,5H2
InChIKeyRETYKGPJGIAFHO-UHFFFAOYSA-N
MW475.96 g/mol
LogP4.41
Rot. Bonds6

About 4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide

4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide (PubChem CID 107492750) has the molecular formula C10H9Br2Cl2F2NO2S and a molecular weight of 475.96 g/mol. Its IUPAC name is 4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide
PubChem CID107492750
Molecular FormulaC10H9Br2Cl2F2NO2S
Molecular Weight475.96 g/mol
Exact Mass472.81
IUPAC Name4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESO=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCBr)CC(F)F
InChIInChI=1S/C10H9Br2Cl2F2NO2S/c11-1-2-17(5-9(15)16)20(18,19)10-7(13)3-6(12)4-8(10)14/h3-4,9H,1-2,5H2
InChIKeyRETYKGPJGIAFHO-UHFFFAOYSA-N
XLogP4.41
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.96
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide (CID 107492750) is 4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide is O=S(=O)(c1c(Cl)cc(Br)cc1Cl)N(CCBr)CC(F)F.
What is the InChIKey of 4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The InChIKey is RETYKGPJGIAFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2Cl2F2NO2S/c11-1-2-17(5-9(15)16)20(18,19)10-7(13)3-6(12)4-8(10)14/h3-4,9H,1-2,5H2.
What are the key properties of 4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide?
4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide has a molecular weight of 475.96 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-bromoethyl)-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide is sourced from PubChem (CID 107492750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).