N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide

C24H20N2O3S — CID 56990780

IUPACN-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccnc(Cc3ccccc3)c2O)c1)c1ccccc1
InChIInChI=1S/C24H20N2O3S/c27-24-22(14-15-25-23(24)16-18-8-3-1-4-9-18)19-10-7-11-20(17-19)26-30(28,29)21-12-5-2-6-13-21/h1-15,17,26-27H,16H2
InChIKeyHIYYWAKJWITDQP-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.85
Rot. Bonds6

About N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide

N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide (PubChem CID 56990780) has the molecular formula C24H20N2O3S and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide
PubChem CID56990780
Molecular FormulaC24H20N2O3S
Molecular Weight416.50 g/mol
Exact Mass416.12
IUPAC NameN-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2ccnc(Cc3ccccc3)c2O)c1)c1ccccc1
InChIInChI=1S/C24H20N2O3S/c27-24-22(14-15-25-23(24)16-18-8-3-1-4-9-18)19-10-7-11-20(17-19)26-30(28,29)21-12-5-2-6-13-21/h1-15,17,26-27H,16H2
InChIKeyHIYYWAKJWITDQP-UHFFFAOYSA-N
XLogP4.85
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-4-[3-(methylamino)phenyl]pyridin-3-ol
CID 57150377
N-(3-benzylphenyl)benzenesulfonamide
CID 3258853
N-[3-[2-(1,3-dioxolan-2-yl)-4-pyridinyl]phenyl]benzenesulfonamide
CID 71320253
N-[3-(chloromethyl)phenyl]benzenesulfonamide
CID 65033363
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
N-(4-hydroxy-3-phenylmethoxyphenyl)benzenesulfonamide
CID 134878745
N-[3-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 51097761
N-(3-propylphenyl)benzenesulfonamide
CID 71064838
N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzenesulfonamide
CID 82252428
N-(3-benzylphenyl)-3,4-dichlorobenzenesulfonamide
CID 3858982
N-(2-tert-butyl-4-pyridinyl)benzenesulfonamide
CID 110444579
N,3-diphenylbenzenesulfonamide
CID 54513984

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide (CID 56990780) is N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2ccnc(Cc3ccccc3)c2O)c1)c1ccccc1.
What is the InChIKey of N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide?
The InChIKey is HIYYWAKJWITDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O3S/c27-24-22(14-15-25-23(24)16-18-8-3-1-4-9-18)19-10-7-11-20(17-19)26-30(28,29)21-12-5-2-6-13-21/h1-15,17,26-27H,16H2.
What are the key properties of N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide?
N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide has a molecular weight of 416.50 g/mol, XLogP of 4.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-benzyl-3-hydroxy-4-pyridinyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 56990780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).