N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide

C12H6BrCl2F2NO2S — CID 107640855

IUPACN-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Br)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H6BrCl2F2NO2S/c13-7-2-1-6(16)5-9(7)18-21(19,20)10-4-3-8(14)12(17)11(10)15/h1-5,18H
InChIKeyDRZLCZYLXWRGRZ-UHFFFAOYSA-N
MW417.06 g/mol
LogP4.83
Rot. Bonds3

About N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide

N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide (PubChem CID 107640855) has the molecular formula C12H6BrCl2F2NO2S and a molecular weight of 417.06 g/mol. Its IUPAC name is N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
PubChem CID107640855
Molecular FormulaC12H6BrCl2F2NO2S
Molecular Weight417.06 g/mol
Exact Mass414.86
IUPAC NameN-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)ccc1Br)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H6BrCl2F2NO2S/c13-7-2-1-6(16)5-9(7)18-21(19,20)10-4-3-8(14)12(17)11(10)15/h1-5,18H
InChIKeyDRZLCZYLXWRGRZ-UHFFFAOYSA-N
XLogP4.83
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.06
LogP ≤ 54.83
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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Related Compounds

4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103088310
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103223782
N-(4-amino-2-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399526
N-(2-bromo-5-fluorophenyl)-6-chloropyridine-3-sulfonamide
CID 113255256
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
2,4-dichloro-3-fluoro-N-(2-hydroxy-4-methylphenyl)benzenesulfonamide
CID 103088377
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105400255
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
5-bromo-N-(2-chloro-5-fluorophenyl)thiophene-2-sulfonamide
CID 113231173

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide (CID 107640855) is N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide is O=S(=O)(Nc1cc(F)ccc1Br)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The InChIKey is DRZLCZYLXWRGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl2F2NO2S/c13-7-2-1-6(16)5-9(7)18-21(19,20)10-4-3-8(14)12(17)11(10)15/h1-5,18H.
What are the key properties of N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide has a molecular weight of 417.06 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide is sourced from PubChem (CID 107640855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).