N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide

C12H7BrCl2N2O4S — CID 5089317

IUPACN-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H7BrCl2N2O4S/c13-8-5-4-7(17(18)19)6-11(8)16-22(20,21)12-9(14)2-1-3-10(12)15/h1-6,16H
InChIKeyNTKDIBLFOKYFHZ-UHFFFAOYSA-N
MW426.08 g/mol
LogP4.46
Rot. Bonds4

About N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide

N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide (PubChem CID 5089317) has the molecular formula C12H7BrCl2N2O4S and a molecular weight of 426.08 g/mol. Its IUPAC name is N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide
PubChem CID5089317
Molecular FormulaC12H7BrCl2N2O4S
Molecular Weight426.08 g/mol
Exact Mass423.87
IUPAC NameN-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1
InChIInChI=1S/C12H7BrCl2N2O4S/c13-8-5-4-7(17(18)19)6-11(8)16-22(20,21)12-9(14)2-1-3-10(12)15/h1-6,16H
InChIKeyNTKDIBLFOKYFHZ-UHFFFAOYSA-N
XLogP4.46
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.08
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-5-nitrophenyl)sulfamoyl chloride
CID 84760630
N-(3-bromophenyl)-2-chloro-4-nitrobenzenesulfonamide
CID 29054211
4-bromo-2-chloro-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 7510436
N-(4-bromo-3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2962820
N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
CID 62907756
N-(2,4-dibromophenyl)-3-nitrobenzenesulfonamide
CID 22773590
N-(2-bromo-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 2975037
N-[(2-bromo-4-nitrophenyl)methyl]-2,3-dichloroaniline
CID 60791051
[2-(2-bromo-4-nitroanilino)-2-oxoethyl] 3-[(2,6-dichlorophenyl)sulfonylamino]propanoate
CID 4831028
(2-chloro-5-nitrophenyl)sulfamic acid
CID 14912232
5-bromo-4-chloro-N-(2-fluoro-4-nitrophenyl)thiophene-2-sulfonamide
CID 80578856
N-(2-amino-5-nitrophenyl)-4-chlorobenzenesulfonamide
CID 4313081

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide?
The IUPAC name of N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide (CID 5089317) is N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide.
What is the SMILES notation for N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide?
The canonical SMILES for N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide is O=[N+]([O-])c1ccc(Br)c(NS(=O)(=O)c2c(Cl)cccc2Cl)c1.
What is the InChIKey of N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide?
The InChIKey is NTKDIBLFOKYFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrCl2N2O4S/c13-8-5-4-7(17(18)19)6-11(8)16-22(20,21)12-9(14)2-1-3-10(12)15/h1-6,16H.
What are the key properties of N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide?
N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide has a molecular weight of 426.08 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-nitrophenyl)-2,6-dichlorobenzenesulfonamide is sourced from PubChem (CID 5089317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).