2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide

C23H25NO4S — CID 90497565

IUPAC2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCC(C)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H25NO4S/c1-3-28-21-11-7-8-12-22(21)29(26,27)24-17-23(2,25)20-15-13-19(14-16-20)18-9-5-4-6-10-18/h4-16,24-25H,3,17H2,1-2H3
InChIKeyBRNQQTKFYLZYIU-UHFFFAOYSA-N
MW411.52 g/mol
LogP3.94
Rot. Bonds8

About 2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide

2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide (PubChem CID 90497565) has the molecular formula C23H25NO4S and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
PubChem CID90497565
Molecular FormulaC23H25NO4S
Molecular Weight411.52 g/mol
Exact Mass411.15
IUPAC Name2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
SMILESCCOc1ccccc1S(=O)(=O)NCC(C)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H25NO4S/c1-3-28-21-11-7-8-12-22(21)29(26,27)24-17-23(2,25)20-15-13-19(14-16-20)18-9-5-4-6-10-18/h4-16,24-25H,3,17H2,1-2H3
InChIKeyBRNQQTKFYLZYIU-UHFFFAOYSA-N
XLogP3.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide
CID 97413982
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2,5-dimethoxybenzenesulfonamide
CID 90497578
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 110291476
2,4-dichloro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-5-methylbenzenesulfonamide
CID 121085769
N-[(2R)-2-hydroxy-2-(4-phenylphenyl)propyl]-1-methylimidazole-4-sulfonamide
CID 97355076
4-fluoro-N-[2-hydroxy-2-(4-phenylphenyl)propyl]-3-methylbenzenesulfonamide
CID 121085734
N-[(2S)-2-hydroxy-2-phenylpropyl]-2,4-dimethylbenzenesulfonamide
CID 95368044
N-[4-[[2-hydroxy-2-(4-phenylphenyl)propyl]sulfamoyl]phenyl]-2-methylpropanamide
CID 90497581
2-ethoxy-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111925
N-[(2S)-2-hydroxy-2-phenylpropyl]methanesulfonamide
CID 95368033
2-ethoxybenzenesulfonic acid;hydrochloride
CID 174785322
4-bromo-N-[(2R)-2-hydroxy-2-phenylpropyl]benzenesulfonamide
CID 95368070

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
The IUPAC name of 2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide (CID 90497565) is 2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for 2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for 2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide is CCOc1ccccc1S(=O)(=O)NCC(C)(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
The InChIKey is BRNQQTKFYLZYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4S/c1-3-28-21-11-7-8-12-22(21)29(26,27)24-17-23(2,25)20-15-13-19(14-16-20)18-9-5-4-6-10-18/h4-16,24-25H,3,17H2,1-2H3.
What are the key properties of 2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide?
2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide has a molecular weight of 411.52 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[2-hydroxy-2-(4-phenylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 90497565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).