4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide

C14H11BrCl2FNO2S — CID 146256453

IUPAC4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2FNO2S/c15-10-7-11(16)14(12(17)8-10)22(20,21)19-6-5-9-3-1-2-4-13(9)18/h1-4,7-8,19H,5-6H2
InChIKeyRUXRLRVIMRFQPW-UHFFFAOYSA-N
MW427.12 g/mol
LogP4.42
Rot. Bonds5

About 4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide

4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (PubChem CID 146256453) has the molecular formula C14H11BrCl2FNO2S and a molecular weight of 427.12 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
PubChem CID146256453
Molecular FormulaC14H11BrCl2FNO2S
Molecular Weight427.12 g/mol
Exact Mass424.91
IUPAC Name4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCc1ccccc1F)c1c(Cl)cc(Br)cc1Cl
InChIInChI=1S/C14H11BrCl2FNO2S/c15-10-7-11(16)14(12(17)8-10)22(20,21)19-6-5-9-3-1-2-4-13(9)18/h1-4,7-8,19H,5-6H2
InChIKeyRUXRLRVIMRFQPW-UHFFFAOYSA-N
XLogP4.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.12
LogP ≤ 54.42
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-fluorophenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide (CID 146256453) is 4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide is O=S(=O)(NCCc1ccccc1F)c1c(Cl)cc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
The InChIKey is RUXRLRVIMRFQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2FNO2S/c15-10-7-11(16)14(12(17)8-10)22(20,21)19-6-5-9-3-1-2-4-13(9)18/h1-4,7-8,19H,5-6H2.
What are the key properties of 4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide?
4-bromo-2,6-dichloro-N-[2-(2-fluorophenyl)ethyl]benzenesulfonamide has a molecular weight of 427.12 g/mol, XLogP of 4.42, 5 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-fluorophenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 146256453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).