4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C8H7Cl2F3N2O2S — CID 43258401

IUPAC4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H7Cl2F3N2O2S/c9-5-1-4(14)2-6(10)7(5)18(16,17)15-3-8(11,12)13/h1-2,15H,3,14H2
InChIKeyFBHQGXPARMILQG-UHFFFAOYSA-N
MW323.12 g/mol
LogP2.42
Rot. Bonds3

About 4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 43258401) has the molecular formula C8H7Cl2F3N2O2S and a molecular weight of 323.12 g/mol. Its IUPAC name is 4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID43258401
Molecular FormulaC8H7Cl2F3N2O2S
Molecular Weight323.12 g/mol
Exact Mass321.96
IUPAC Name4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESNc1cc(Cl)c(S(=O)(=O)NCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C8H7Cl2F3N2O2S/c9-5-1-4(14)2-6(10)7(5)18(16,17)15-3-8(11,12)13/h1-2,15H,3,14H2
InChIKeyFBHQGXPARMILQG-UHFFFAOYSA-N
XLogP2.42
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.12
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 43258401) is 4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Nc1cc(Cl)c(S(=O)(=O)NCC(F)(F)F)c(Cl)c1.
What is the InChIKey of 4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is FBHQGXPARMILQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2F3N2O2S/c9-5-1-4(14)2-6(10)7(5)18(16,17)15-3-8(11,12)13/h1-2,15H,3,14H2.
What are the key properties of 4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 323.12 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 43258401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).