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

C8H6BrCl2F2NO2S — CID 79090453

IUPAC4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C8H6BrCl2F2NO2S/c9-4-1-5(10)8(6(11)2-4)17(15,16)14-3-7(12)13/h1-2,7,14H,3H2
InChIKeyDWBACAYVNRISCR-UHFFFAOYSA-N
MW369.01 g/mol
LogP3.30
Rot. Bonds4

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

4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide (PubChem CID 79090453) has the molecular formula C8H6BrCl2F2NO2S and a molecular weight of 369.01 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide
PubChem CID79090453
Molecular FormulaC8H6BrCl2F2NO2S
Molecular Weight369.01 g/mol
Exact Mass366.86
IUPAC Name4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C8H6BrCl2F2NO2S/c9-4-1-5(10)8(6(11)2-4)17(15,16)14-3-7(12)13/h1-2,7,14H,3H2
InChIKeyDWBACAYVNRISCR-UHFFFAOYSA-N
XLogP3.30
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.01
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide (CID 79090453) is 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)F)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide?
The InChIKey is DWBACAYVNRISCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2F2NO2S/c9-4-1-5(10)8(6(11)2-4)17(15,16)14-3-7(12)13/h1-2,7,14H,3H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide?
4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide has a molecular weight of 369.01 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2,2-difluoroethyl)benzenesulfonamide is sourced from PubChem (CID 79090453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).