N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide

C26H21Cl2NO3S — CID 146545797

IUPACN-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N(Cc1ccccc1)Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H21Cl2NO3S/c27-23-15-24(28)26(30)25(16-23)33(31,32)29(17-19-8-3-1-4-9-19)18-20-10-7-13-22(14-20)21-11-5-2-6-12-21/h1-16,30H,17-18H2
InChIKeyGUHHZVSEHDZQLC-UHFFFAOYSA-N
MW498.43 g/mol
LogP6.76
Rot. Bonds7

About N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide

N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide (PubChem CID 146545797) has the molecular formula C26H21Cl2NO3S and a molecular weight of 498.43 g/mol. Its IUPAC name is N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide
PubChem CID146545797
Molecular FormulaC26H21Cl2NO3S
Molecular Weight498.43 g/mol
Exact Mass497.06
IUPAC NameN-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(c1cc(Cl)cc(Cl)c1O)N(Cc1ccccc1)Cc1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H21Cl2NO3S/c27-23-15-24(28)26(30)25(16-23)33(31,32)29(17-19-8-3-1-4-9-19)18-20-10-7-13-22(14-20)21-11-5-2-6-12-21/h1-16,30H,17-18H2
InChIKeyGUHHZVSEHDZQLC-UHFFFAOYSA-N
XLogP6.76
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.43
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-2-hydroxy-N-(2,4,6-triphenylphenyl)benzene-1-sulfonamide
CID 44442242
3,5-dichloro-N-[(2-fluoro-5-phenylphenyl)methyl]-2-hydroxybenzenesulfonamide
CID 146545770
2,4-Dichloro-6-[2-(2-fluorophenyl)azetidin-1-yl]sulfonylphenol
CID 146604296
3,5-dichloro-N-[[3-[[(3,5-dichloro-2-hydroxyphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-2-hydroxybenzenesulfonamide
CID 44594822
3,5-dichloro-N-[[4-[[(3,5-dichlorophenyl)sulfonyl-(2-hydroxyethyl)amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 44595254
3,5-dichloro-N-[[2-[[(3,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]methyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 44595255
3,5-Dichloro-N-((4'-chloro-2-methoxybiphenyl-3-yl)methyl)-N-(4-fluorobenzyl)-2-hydroxybenzenesulfonamide
CID 44595537
tert-Butyl 3-((3,5-dichloro-N-((4'-fluorobiphenyl-4-yl)methyl)-2-hydroxyphenylsulfonamido)methyl)benzylcarbamate
CID 58531334
3,5-dichloro-N-[(4-ethylphenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 58531335
3,5-dichloro-N-[[3-[2-(3,5-dichloro-2-hydroxyphenyl)sulfonylethyl]phenyl]methyl]-N-[(4-fluorophenyl)methyl]-2-hydroxybenzenesulfonamide
CID 58531343
3,5-Dichloro-N-(4-((3,5-dichloro-N-(4-fluorobenzyl)phenylsulfonamido)methyl)benzyl)-N-(4-fluorobenzyl)-2-hydroxybenzenesulfonamide
CID 58531345
N-((4'-Azidobiphenyl-3-yl)methyl)-3,5-dichloro-N-(4-fluorobenzyl)-2-hydroxybenzenesulfonamide
CID 58531353

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide (CID 146545797) is N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide is O=S(=O)(c1cc(Cl)cc(Cl)c1O)N(Cc1ccccc1)Cc1cccc(-c2ccccc2)c1.
What is the InChIKey of N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide?
The InChIKey is GUHHZVSEHDZQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2NO3S/c27-23-15-24(28)26(30)25(16-23)33(31,32)29(17-19-8-3-1-4-9-19)18-20-10-7-13-22(14-20)21-11-5-2-6-12-21/h1-16,30H,17-18H2.
What are the key properties of N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide?
N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide has a molecular weight of 498.43 g/mol, XLogP of 6.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dichloro-2-hydroxy-N-[(3-phenylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 146545797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).