3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide

C19H15Cl2NO4S — CID 146545964

IUPAC3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
SMILESCOc1cc(-c2ccccc2)ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H15Cl2NO4S/c1-26-17-9-13(12-5-3-2-4-6-12)7-8-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3
InChIKeyYITVNBUNFMDOLV-UHFFFAOYSA-N
MW424.31 g/mol
LogP5.18
Rot. Bonds5

About 3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide

3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide (PubChem CID 146545964) has the molecular formula C19H15Cl2NO4S and a molecular weight of 424.31 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
PubChem CID146545964
Molecular FormulaC19H15Cl2NO4S
Molecular Weight424.31 g/mol
Exact Mass423.01
IUPAC Name3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide
SMILESCOc1cc(-c2ccccc2)ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O
InChIInChI=1S/C19H15Cl2NO4S/c1-26-17-9-13(12-5-3-2-4-6-12)7-8-16(17)22-27(24,25)18-11-14(20)10-15(21)19(18)23/h2-11,22-23H,1H3
InChIKeyYITVNBUNFMDOLV-UHFFFAOYSA-N
XLogP5.18
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.31
LogP ≤ 55.18
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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Related Compounds

3-chloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-5-(tetrazolidin-5-yl)benzenesulfonamide
CID 167844669
3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 146545910
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
N-[3-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-4-methoxyphenyl]acetamide
CID 25036035
2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545806
tert-butyl 4-[3-chloro-4-hydroxy-5-[(2-methoxy-5-phenylphenyl)sulfamoyl]benzoyl]piperazine-1-carboxylate
CID 146601037
5-chloro-N-(2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 4664874
5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545879
3,5-dichloro-2-hydroxy-N-(2,3,4,5-tetrachlorophenyl)benzenesulfonamide
CID 22763232
[2,4-dichloro-6-[(2-fluoro-5-phenylphenyl)sulfamoyl]phenyl] propanoate
CID 146545966
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide (CID 146545964) is 3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide is COc1cc(-c2ccccc2)ccc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide?
The InChIKey is YITVNBUNFMDOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO4S/c1-26-17-9-13(12-5-3-2-4-6-12)7-8-16(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 3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide?
3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide has a molecular weight of 424.31 g/mol, XLogP of 5.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-(2-methoxy-4-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 146545964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).