5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide

C18H12BrFN2O5S — CID 146545716

IUPAC5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2F)c1O
InChIInChI=1S/C18H12BrFN2O5S/c19-13-9-16(22(24)25)18(23)17(10-13)28(26,27)21-15-7-6-12(8-14(15)20)11-4-2-1-3-5-11/h1-10,21,23H
InChIKeyQDYQEWPDAXIJPN-UHFFFAOYSA-N
MW467.27 g/mol
LogP4.67
Rot. Bonds5

About 5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide

5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide (PubChem CID 146545716) has the molecular formula C18H12BrFN2O5S and a molecular weight of 467.27 g/mol. Its IUPAC name is 5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide
PubChem CID146545716
Molecular FormulaC18H12BrFN2O5S
Molecular Weight467.27 g/mol
Exact Mass465.96
IUPAC Name5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2F)c1O
InChIInChI=1S/C18H12BrFN2O5S/c19-13-9-16(22(24)25)18(23)17(10-13)28(26,27)21-15-7-6-12(8-14(15)20)11-4-2-1-3-5-11/h1-10,21,23H
InChIKeyQDYQEWPDAXIJPN-UHFFFAOYSA-N
XLogP4.67
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.27
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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)-2-methoxy-5-nitrobenzenesulfonamide
CID 8822705
2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide
CID 62153847
3-tert-butyl-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-phenylbenzenesulfonamide
CID 11712321
N-(4-bromo-2-fluorophenyl)-4-chloro-3-nitrobenzenesulfonamide
CID 26969862
N-(4-bromo-2-fluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4824317
5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545879
5-bromo-N-(5-fluoro-2-pyridinyl)-2-nitrobenzenesulfonamide
CID 63903274
5-bromo-N-(4-methylphenyl)-2-nitrobenzenesulfonamide
CID 61016849
N-(4-fluoro-2-iodophenyl)-2-nitrobenzenesulfonamide
CID 79758552
N-(2-bromophenyl)-4-fluoro-2-nitrobenzenesulfonamide
CID 26951674
2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid
CID 16773625
2-nitro-N-(2-nitrophenyl)benzenesulfonamide
CID 2827773

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide (CID 146545716) is 5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)Nc2ccc(-c3ccccc3)cc2F)c1O.
What is the InChIKey of 5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide?
The InChIKey is QDYQEWPDAXIJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrFN2O5S/c19-13-9-16(22(24)25)18(23)17(10-13)28(26,27)21-15-7-6-12(8-14(15)20)11-4-2-1-3-5-11/h1-10,21,23H.
What are the key properties of 5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide?
5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide has a molecular weight of 467.27 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-fluoro-4-phenylphenyl)-2-hydroxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 146545716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).