5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide

C19H15BrClNO4S — CID 146545864

IUPAC5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C19H15BrClNO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3
InChIKeyZODQLOJODPZBQW-UHFFFAOYSA-N
MW468.76 g/mol
LogP5.28
Rot. Bonds5

About 5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide

5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (PubChem CID 146545864) has the molecular formula C19H15BrClNO4S and a molecular weight of 468.76 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
PubChem CID146545864
Molecular FormulaC19H15BrClNO4S
Molecular Weight468.76 g/mol
Exact Mass466.96
IUPAC Name5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Br)cc(Cl)c1O
InChIInChI=1S/C19H15BrClNO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3
InChIKeyZODQLOJODPZBQW-UHFFFAOYSA-N
XLogP5.28
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.76
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_A(43)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (CID 146545864) is 5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Br)cc(Cl)c1O.
What is the InChIKey of 5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The InChIKey is ZODQLOJODPZBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO4S/c1-26-17-8-7-13(12-5-3-2-4-6-12)9-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3.
What are the key properties of 5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide has a molecular weight of 468.76 g/mol, XLogP of 5.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 146545864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).