3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide

C19H15BrClNO4S — CID 146545895

IUPAC3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C19H15BrClNO4S/c1-26-18-8-7-13(12-5-3-2-4-6-12)9-17(18)22-27(24,25)14-10-15(20)19(23)16(21)11-14/h2-11,22-23H,1H3
InChIKeyRJNRNYQXDYDPDC-UHFFFAOYSA-N
MW468.76 g/mol
LogP5.28
Rot. Bonds5

About 3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide

3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (PubChem CID 146545895) has the molecular formula C19H15BrClNO4S and a molecular weight of 468.76 g/mol. Its IUPAC name is 3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
PubChem CID146545895
Molecular FormulaC19H15BrClNO4S
Molecular Weight468.76 g/mol
Exact Mass466.96
IUPAC Name3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)c(O)c(Br)c1
InChIInChI=1S/C19H15BrClNO4S/c1-26-18-8-7-13(12-5-3-2-4-6-12)9-17(18)22-27(24,25)14-10-15(20)19(23)16(21)11-14/h2-11,22-23H,1H3
InChIKeyRJNRNYQXDYDPDC-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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The IUPAC name of 3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (CID 146545895) is 3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(Cl)c(O)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The InChIKey is RJNRNYQXDYDPDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO4S/c1-26-18-8-7-13(12-5-3-2-4-6-12)9-17(18)22-27(24,25)14-10-15(20)19(23)16(21)11-14/h2-11,22-23H,1H3.
What are the key properties of 3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
3-bromo-5-chloro-4-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 3-bromo-5-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 146545895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).