4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C8H5BrCl2F3NO2S — CID 121302055

IUPAC4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C8H5BrCl2F3NO2S/c9-4-1-2-5(7(11)6(4)10)18(16,17)15-3-8(12,13)14/h1-2,15H,3H2
InChIKeyHEIBVECGOGDLMA-UHFFFAOYSA-N
MW387.00 g/mol
LogP3.60
Rot. Bonds3

About 4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide

4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 121302055) has the molecular formula C8H5BrCl2F3NO2S and a molecular weight of 387.00 g/mol. Its IUPAC name is 4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID121302055
Molecular FormulaC8H5BrCl2F3NO2S
Molecular Weight387.00 g/mol
Exact Mass384.86
IUPAC Name4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESO=S(=O)(NCC(F)(F)F)c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C8H5BrCl2F3NO2S/c9-4-1-2-5(7(11)6(4)10)18(16,17)15-3-8(12,13)14/h1-2,15H,3H2
InChIKeyHEIBVECGOGDLMA-UHFFFAOYSA-N
XLogP3.60
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.00
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 121302055) is 4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is O=S(=O)(NCC(F)(F)F)c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is HEIBVECGOGDLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrCl2F3NO2S/c9-4-1-2-5(7(11)6(4)10)18(16,17)15-3-8(12,13)14/h1-2,15H,3H2.
What are the key properties of 4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 387.00 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-dichloro-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 121302055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).