5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide

C8H7BrClF2NO3S — CID 60922947

IUPAC5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1OCC(F)F
InChIInChI=1S/C8H7BrClF2NO3S/c9-4-1-5(10)8(16-3-7(11)12)6(2-4)17(13,14)15/h1-2,7H,3H2,(H2,13,14,15)
InChIKeyVVSCJNBOHULGGU-UHFFFAOYSA-N
MW350.57 g/mol
LogP2.39
Rot. Bonds4

About 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide

5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide (PubChem CID 60922947) has the molecular formula C8H7BrClF2NO3S and a molecular weight of 350.57 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide
PubChem CID60922947
Molecular FormulaC8H7BrClF2NO3S
Molecular Weight350.57 g/mol
Exact Mass348.90
IUPAC Name5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1OCC(F)F
InChIInChI=1S/C8H7BrClF2NO3S/c9-4-1-5(10)8(16-3-7(11)12)6(2-4)17(13,14)15/h1-2,7H,3H2,(H2,13,14,15)
InChIKeyVVSCJNBOHULGGU-UHFFFAOYSA-N
XLogP2.39
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.57
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide (CID 60922947) is 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Br)cc(Cl)c1OCC(F)F.
What is the InChIKey of 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide?
The InChIKey is VVSCJNBOHULGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClF2NO3S/c9-4-1-5(10)8(16-3-7(11)12)6(2-4)17(13,14)15/h1-2,7H,3H2,(H2,13,14,15).
What are the key properties of 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide?
5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide has a molecular weight of 350.57 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(2,2-difluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 60922947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).