N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide

C12H7BrClFN2O4S — CID 26969862

IUPACN-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1Cl
InChIInChI=1S/C12H7BrClFN2O4S/c13-7-1-4-11(10(15)5-7)16-22(20,21)8-2-3-9(14)12(6-8)17(18)19/h1-6,16H
InChIKeyGOPSULXUELWDSV-UHFFFAOYSA-N
MW409.62 g/mol
LogP3.95
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide

N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide (PubChem CID 26969862) has the molecular formula C12H7BrClFN2O4S and a molecular weight of 409.62 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide
PubChem CID26969862
Molecular FormulaC12H7BrClFN2O4S
Molecular Weight409.62 g/mol
Exact Mass407.90
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1Cl
InChIInChI=1S/C12H7BrClFN2O4S/c13-7-1-4-11(10(15)5-7)16-22(20,21)8-2-3-9(14)12(6-8)17(18)19/h1-6,16H
InChIKeyGOPSULXUELWDSV-UHFFFAOYSA-N
XLogP3.95
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.62
LogP ≤ 53.95
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-(4-bromo-2-fluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4824317
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
N-(4-bromo-2-fluorophenyl)-3,5-dichlorobenzenesulfonamide
CID 28829056
N-(5-chloro-2-fluorophenyl)-4-fluoro-3-nitrobenzenesulfonamide
CID 4793013
4-chloro-N-(2-methylphenyl)-3-nitrobenzenesulfonamide
CID 7593889
4-chloro-N-(2-hydroxy-4-methylphenyl)-3-nitrobenzenesulfonamide
CID 75401780
4-chloro-N-[2-(difluoromethoxy)phenyl]-3-nitrobenzenesulfonamide
CID 5212031
4-[(4-chloro-3-nitrophenyl)sulfonylamino]-3-hydroxybenzoic acid
CID 108783441
N-(5-bromo-2-chlorophenyl)-4-nitrobenzenesulfonamide
CID 62907756
N-(2-acetylphenyl)-4-chloro-3-nitrobenzenesulfonamide
CID 4270377
3-amino-N-(4-bromo-2-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 29040272
5-chloro-2-[(4-chloro-3-nitrophenyl)sulfonylamino]-N-phenylbenzamide
CID 10183406

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide (CID 26969862) is N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2F)ccc1Cl.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide?
The InChIKey is GOPSULXUELWDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O4S/c13-7-1-4-11(10(15)5-7)16-22(20,21)8-2-3-9(14)12(6-8)17(18)19/h1-6,16H.
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide?
N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide has a molecular weight of 409.62 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide is sourced from PubChem (CID 26969862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).