2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide

C8H6Cl2F3NO3S — CID 43164615

IUPAC2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCC(F)(F)F)cc1Cl
InChIInChI=1S/C8H6Cl2F3NO3S/c9-4-2-7(18(14,15)16)5(10)1-6(4)17-3-8(11,12)13/h1-2H,3H2,(H2,14,15,16)
InChIKeyACZKSIQYKKTXRL-UHFFFAOYSA-N
MW324.11 g/mol
LogP2.58
Rot. Bonds3

About 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide

2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide (PubChem CID 43164615) has the molecular formula C8H6Cl2F3NO3S and a molecular weight of 324.11 g/mol. Its IUPAC name is 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
PubChem CID43164615
Molecular FormulaC8H6Cl2F3NO3S
Molecular Weight324.11 g/mol
Exact Mass322.94
IUPAC Name2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCC(F)(F)F)cc1Cl
InChIInChI=1S/C8H6Cl2F3NO3S/c9-4-2-7(18(14,15)16)5(10)1-6(4)17-3-8(11,12)13/h1-2H,3H2,(H2,14,15,16)
InChIKeyACZKSIQYKKTXRL-UHFFFAOYSA-N
XLogP2.58
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.11
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide (CID 43164615) is 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(OCC(F)(F)F)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
The InChIKey is ACZKSIQYKKTXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3NO3S/c9-4-2-7(18(14,15)16)5(10)1-6(4)17-3-8(11,12)13/h1-2H,3H2,(H2,14,15,16).
What are the key properties of 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide?
2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide has a molecular weight of 324.11 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-(2,2,2-trifluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 43164615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).