N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide

C12H7BrCl2FNO2S — CID 43386689

IUPACN-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1F
InChIInChI=1S/C12H7BrCl2FNO2S/c13-7-5-8(14)12(9(15)6-7)17-20(18,19)11-4-2-1-3-10(11)16/h1-6,17H
InChIKeyUBHPYNJGRFQNJS-UHFFFAOYSA-N
MW399.07 g/mol
LogP4.70
Rot. Bonds3

About N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide

N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide (PubChem CID 43386689) has the molecular formula C12H7BrCl2FNO2S and a molecular weight of 399.07 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide
PubChem CID43386689
Molecular FormulaC12H7BrCl2FNO2S
Molecular Weight399.07 g/mol
Exact Mass396.87
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1F
InChIInChI=1S/C12H7BrCl2FNO2S/c13-7-5-8(14)12(9(15)6-7)17-20(18,19)11-4-2-1-3-10(11)16/h1-6,17H
InChIKeyUBHPYNJGRFQNJS-UHFFFAOYSA-N
XLogP4.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.07
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide (CID 43386689) is N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide is O=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1ccccc1F.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide?
The InChIKey is UBHPYNJGRFQNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO2S/c13-7-5-8(14)12(9(15)6-7)17-20(18,19)11-4-2-1-3-10(11)16/h1-6,17H.
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide?
N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide has a molecular weight of 399.07 g/mol, XLogP of 4.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43386689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).