N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide

C8H8BrClFNO2S — CID 104922648

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C8H8BrClFNO2S/c1-2-15(13,14)12-8-6(9)3-5(11)4-7(8)10/h3-4,12H,2H2,1H3
InChIKeyPWQOISCARVSBHJ-UHFFFAOYSA-N
MW316.58 g/mol
LogP3.00
Rot. Bonds3

About N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide

N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide (PubChem CID 104922648) has the molecular formula C8H8BrClFNO2S and a molecular weight of 316.58 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide
PubChem CID104922648
Molecular FormulaC8H8BrClFNO2S
Molecular Weight316.58 g/mol
Exact Mass314.91
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide
SMILESCCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br
InChIInChI=1S/C8H8BrClFNO2S/c1-2-15(13,14)12-8-6(9)3-5(11)4-7(8)10/h3-4,12H,2H2,1H3
InChIKeyPWQOISCARVSBHJ-UHFFFAOYSA-N
XLogP3.00
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide (CID 104922648) is N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide is CCS(=O)(=O)Nc1c(Cl)cc(F)cc1Br.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide?
The InChIKey is PWQOISCARVSBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFNO2S/c1-2-15(13,14)12-8-6(9)3-5(11)4-7(8)10/h3-4,12H,2H2,1H3.
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide?
N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide has a molecular weight of 316.58 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)ethanesulfonamide is sourced from PubChem (CID 104922648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).