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

C12H7BrCl2FNO2S — CID 43386688

IUPACN-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C12H7BrCl2FNO2S/c13-7-5-10(14)12(11(15)6-7)17-20(18,19)9-3-1-8(16)2-4-9/h1-6,17H
InChIKeyXRMZDTGNJSCNRF-UHFFFAOYSA-N
MW399.07 g/mol
LogP4.70
Rot. Bonds3

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

N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide (PubChem CID 43386688) has the molecular formula C12H7BrCl2FNO2S and a molecular weight of 399.07 g/mol. Its IUPAC name is N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide
PubChem CID43386688
Molecular FormulaC12H7BrCl2FNO2S
Molecular Weight399.07 g/mol
Exact Mass396.87
IUPAC NameN-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1
InChIInChI=1S/C12H7BrCl2FNO2S/c13-7-5-10(14)12(11(15)6-7)17-20(18,19)9-3-1-8(16)2-4-9/h1-6,17H
InChIKeyXRMZDTGNJSCNRF-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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Related Compounds

N-(4-bromophenyl)-4-chlorobenzenesulfonamide
CID 598509
3-amino-N-(4-bromophenyl)-4-chlorobenzene-1-sulfonamide
CID 3715706
N-(4-bromophenyl)-3-chlorobenzenesulfonamide
CID 8190105
4-bromo-N-(4-chloro-2-fluorophenyl)benzenesulfonamide
CID 1312319
N-(4-bromo-2-fluorophenyl)-3-chlorobenzenesulfonamide
CID 983861
4-Bromo-N-(2-chlorophenyl)benzenesulfonamide
CID 232033
N-(4-bromo-2-chlorophenyl)-4-fluorobenzenesulfonamide
CID 4844517
4-bromo-2-chloro-N-(4-chloro-2-fluorophenyl)benzenesulfonamide
CID 4846419
N-(2-bromo-6-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 71859122
N-(4-bromo-2,6-dichlorophenyl)methanesulfonamide
CID 60640158
N-(4-bromophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 1190447
N-(4-bromo-3-chlorophenyl)-4-fluorobenzenesulfonamide
CID 2210341

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide (CID 43386688) is N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide is O=S(=O)(Nc1c(Cl)cc(Br)cc1Cl)c1ccc(F)cc1.
What is the InChIKey of N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide?
The InChIKey is XRMZDTGNJSCNRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2FNO2S/c13-7-5-10(14)12(11(15)6-7)17-20(18,19)9-3-1-8(16)2-4-9/h1-6,17H.
What are the key properties of N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzenesulfonamide?
N-(4-bromo-2,6-dichlorophenyl)-4-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)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 43386688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).