N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide

C12H6BrCl3FNO2S — CID 103088310

IUPACN-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Br)c1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H6BrCl3FNO2S/c13-7-5-6(1-2-8(7)14)18-21(19,20)10-4-3-9(15)12(17)11(10)16/h1-5,18H
InChIKeyAJHOBLAQTRGYLS-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.35
Rot. Bonds3

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

N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide (PubChem CID 103088310) has the molecular formula C12H6BrCl3FNO2S and a molecular weight of 433.51 g/mol. Its IUPAC name is N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
PubChem CID103088310
Molecular FormulaC12H6BrCl3FNO2S
Molecular Weight433.51 g/mol
Exact Mass430.84
IUPAC NameN-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c(Br)c1)c1ccc(Cl)c(F)c1Cl
InChIInChI=1S/C12H6BrCl3FNO2S/c13-7-5-6(1-2-8(7)14)18-21(19,20)10-4-3-9(15)12(17)11(10)16/h1-5,18H
InChIKeyAJHOBLAQTRGYLS-UHFFFAOYSA-N
XLogP5.35
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.35
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

N-(6-bromo-3-pyridinyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 103223782
N-(2-bromo-5-fluorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide
CID 107640855
2,4-dichloro-3-fluoro-N-(3-hydroxyphenyl)benzenesulfonamide
CID 103088374
2,4-dichloro-N-[3-(chloromethyl)phenyl]-3-fluorobenzenesulfonamide
CID 103089625
N-(3-bromo-4-chlorophenyl)-2-hydroxybenzenesulfonamide
CID 81245009
3-bromo-N-(3-bromo-4-fluorophenyl)-4-chlorobenzenesulfonamide
CID 106606106
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
N-(4-amino-3-bromophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399595
N-(3-bromo-4-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610706
N-(4-bromo-3-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115649180
5-amino-N-(3-bromo-4-fluorophenyl)-3-chloro-2-fluorobenzenesulfonamide
CID 104775483
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The IUPAC name of N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide (CID 103088310) is N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide is O=S(=O)(Nc1ccc(Cl)c(Br)c1)c1ccc(Cl)c(F)c1Cl.
What is the InChIKey of N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
The InChIKey is AJHOBLAQTRGYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl3FNO2S/c13-7-5-6(1-2-8(7)14)18-21(19,20)10-4-3-9(15)12(17)11(10)16/h1-5,18H.
What are the key properties of N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide?
N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide has a molecular weight of 433.51 g/mol, XLogP of 5.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-chlorophenyl)-2,4-dichloro-3-fluorobenzenesulfonamide is sourced from PubChem (CID 103088310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).