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

C12H6BrCl3FNO2S — CID 107577552

IUPAC4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(F)c(Cl)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H6BrCl3FNO2S/c13-6-1-2-11(8(14)3-6)21(19,20)18-7-4-9(15)12(17)10(16)5-7/h1-5,18H
InChIKeyVUHDFKNWLCZSQP-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.35
Rot. Bonds3

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

4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide (PubChem CID 107577552) has the molecular formula C12H6BrCl3FNO2S and a molecular weight of 433.51 g/mol. Its IUPAC name is 4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
PubChem CID107577552
Molecular FormulaC12H6BrCl3FNO2S
Molecular Weight433.51 g/mol
Exact Mass430.84
IUPAC Name4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Cl)c(F)c(Cl)c1)c1ccc(Br)cc1Cl
InChIInChI=1S/C12H6BrCl3FNO2S/c13-6-1-2-11(8(14)3-6)21(19,20)18-7-4-9(15)12(17)10(16)5-7/h1-5,18H
InChIKeyVUHDFKNWLCZSQP-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'}

Analyze 4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(3,5-dichloro-4-hydroxyphenyl)-2-fluorobenzenesulfonamide
CID 116527677
4-bromo-2-chloro-N-(3,5-dimethoxyphenyl)benzenesulfonamide
CID 7939100
4-bromo-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 104856694
4-bromo-N-(2-bromo-5-fluorophenyl)-2-chlorobenzenesulfonamide
CID 107629929
4-bromo-2-chloro-N-[3-chloro-4-(methanesulfonamido)phenyl]benzenesulfonamide
CID 35545610
4-bromo-2-chloro-N-(3-iodophenyl)benzenesulfonamide
CID 60640731
5-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)pyridine-3-sulfonamide
CID 107573401
2,4-dibromo-N-(3,5-dichloro-4-hydroxyphenyl)benzenesulfonamide
CID 107681665
N-(4-acetylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 7510419
4-bromo-2-chloro-N-(2-fluoro-4-methylphenyl)benzenesulfonamide
CID 26979434
4-bromo-N-(2-bromo-6-fluorophenyl)-2-chlorobenzenesulfonamide
CID 103822964
4-bromo-N-(2-bromo-5-chlorophenyl)-2-chlorobenzenesulfonamide
CID 81275585

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide (CID 107577552) is 4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1cc(Cl)c(F)c(Cl)c1)c1ccc(Br)cc1Cl.
What is the InChIKey of 4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide?
The InChIKey is VUHDFKNWLCZSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrCl3FNO2S/c13-6-1-2-11(8(14)3-6)21(19,20)18-7-4-9(15)12(17)10(16)5-7/h1-5,18H.
What are the key properties of 4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide?
4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide 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 4-bromo-2-chloro-N-(3,5-dichloro-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 107577552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).