N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide

C23H25NO3S — CID 7938232

IUPACN-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO3S/c1-2-27-21-13-15-22(16-14-21)28(25,26)24-18-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23-24H,2,17-18H2,1H3
InChIKeyWUXGNYYBJLIMET-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.59
Rot. Bonds9

About N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide

N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide (PubChem CID 7938232) has the molecular formula C23H25NO3S and a molecular weight of 395.52 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
PubChem CID7938232
Molecular FormulaC23H25NO3S
Molecular Weight395.52 g/mol
Exact Mass395.16
IUPAC NameN-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H25NO3S/c1-2-27-21-13-15-22(16-14-21)28(25,26)24-18-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23-24H,2,17-18H2,1H3
InChIKeyWUXGNYYBJLIMET-UHFFFAOYSA-N
XLogP4.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3729209
N-[2-(4-ethoxyphenoxy)ethyl]-4-phenoxybenzenesulfonamide
CID 30366250
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 134017270
N-[2-(dimethylamino)-2-phenylethyl]-3-[(4-ethoxyphenyl)sulfonylamino]propanamide
CID 43001637
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
4-ethoxy-N-[(3S)-3-hydroxy-3-thiophen-3-ylpropyl]benzenesulfonamide
CID 99981391
4-methyl-N-[3-(4-methylphenyl)-3-(4-propan-2-yloxyphenyl)propyl]benzenesulfonamide
CID 3739700
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-(3-aminobutyl)-4-(3-methylbutoxy)benzenesulfonamide
CID 119972668
N-[(3S)-4-(4-ethoxyphenyl)-3-phenylbutyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide
CID 166439654

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide?
The IUPAC name of N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide (CID 7938232) is N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide?
The InChIKey is WUXGNYYBJLIMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3S/c1-2-27-21-13-15-22(16-14-21)28(25,26)24-18-17-23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-16,23-24H,2,17-18H2,1H3.
What are the key properties of N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide?
N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide has a molecular weight of 395.52 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-4-ethoxybenzenesulfonamide is sourced from PubChem (CID 7938232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).