4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide

C12H8BrCl2FN2O2S — CID 107608927

IUPAC4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Br)c(Cl)c1
InChIInChI=1S/C12H8BrCl2FN2O2S/c13-8-3-6(16)4-10(15)12(8)18-21(19,20)11-2-1-7(17)5-9(11)14/h1-5,18H,17H2
InChIKeyYHBRMKJDSROQCJ-UHFFFAOYSA-N
MW414.08 g/mol
LogP4.28
Rot. Bonds3

About 4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide

4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide (PubChem CID 107608927) has the molecular formula C12H8BrCl2FN2O2S and a molecular weight of 414.08 g/mol. Its IUPAC name is 4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
PubChem CID107608927
Molecular FormulaC12H8BrCl2FN2O2S
Molecular Weight414.08 g/mol
Exact Mass411.89
IUPAC Name4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Br)c(Cl)c1
InChIInChI=1S/C12H8BrCl2FN2O2S/c13-8-3-6(16)4-10(15)12(8)18-21(19,20)11-2-1-7(17)5-9(11)14/h1-5,18H,17H2
InChIKeyYHBRMKJDSROQCJ-UHFFFAOYSA-N
XLogP4.28
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.08
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922632
N-(2-bromo-6-chloro-4-fluorophenyl)-2-fluorobenzenesulfonamide
CID 104922640
N-(2-bromo-6-chloro-4-fluorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 104922677
N-(2-bromo-6-chloro-4-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 107613420
4-amino-2-chloro-N-(2,6-dichlorophenyl)benzenesulfonamide
CID 65470012
5-amino-2-bromo-N-(2-bromo-4,6-difluorophenyl)benzenesulfonamide
CID 65201956
4-amino-2-chloro-N-(2,5-difluoro-4-methylphenyl)benzenesulfonamide
CID 103584428
3-bromo-N-(2-bromo-6-chloro-4-fluorophenyl)benzenesulfonamide
CID 104922663
5-(aminomethyl)-N-(2-bromo-6-chloro-4-fluorophenyl)-2-methylfuran-3-sulfonamide
CID 106087695
2-bromo-N-(2-chloro-4,6-difluorophenyl)-4-methylbenzenesulfonamide
CID 82888797
N-(2-bromo-6-chloro-4-fluorophenyl)-5-cyanothiophene-2-sulfonamide
CID 106269382
5-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-3-methylimidazole-4-sulfonamide
CID 107608901

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide?
The IUPAC name of 4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide (CID 107608927) is 4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide is Nc1ccc(S(=O)(=O)Nc2c(Cl)cc(F)cc2Br)c(Cl)c1.
What is the InChIKey of 4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide?
The InChIKey is YHBRMKJDSROQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrCl2FN2O2S/c13-8-3-6(16)4-10(15)12(8)18-21(19,20)11-2-1-7(17)5-9(11)14/h1-5,18H,17H2.
What are the key properties of 4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide?
4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide has a molecular weight of 414.08 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-bromo-6-chloro-4-fluorophenyl)-2-chlorobenzenesulfonamide is sourced from PubChem (CID 107608927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).