N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide

C22H23NO4S — CID 28567796

IUPACN-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
SMILESCOc1ccccc1CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H23NO4S/c1-26-22-12-6-5-8-18(22)9-7-17-23-28(24,25)21-15-13-20(14-16-21)27-19-10-3-2-4-11-19/h2-6,8,10-16,23H,7,9,17H2,1H3
InChIKeyJMVZCTKFXGDTKD-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.40
Rot. Bonds9

About N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide

N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide (PubChem CID 28567796) has the molecular formula C22H23NO4S and a molecular weight of 397.50 g/mol. Its IUPAC name is N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
PubChem CID28567796
Molecular FormulaC22H23NO4S
Molecular Weight397.50 g/mol
Exact Mass397.13
IUPAC NameN-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
SMILESCOc1ccccc1CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H23NO4S/c1-26-22-12-6-5-8-18(22)9-7-17-23-28(24,25)21-15-13-20(14-16-21)27-19-10-3-2-4-11-19/h2-6,8,10-16,23H,7,9,17H2,1H3
InChIKeyJMVZCTKFXGDTKD-UHFFFAOYSA-N
XLogP4.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323
3,4-dimethoxy-N-[4-(2-methoxyphenyl)butyl]benzenesulfonamide
CID 110409185
N-(5-aminopentyl)-4-phenoxybenzenesulfonamide
CID 58080264
4-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964872
N-[4-(2-methoxyphenyl)butyl]-2-oxo-1,3-dihydrobenzimidazole-5-sulfonamide
CID 110409215
3-(benzenesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 31115017
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945
N-[4-(2-fluorophenyl)butyl]-3,4-dimethoxybenzenesulfonamide
CID 110601561
N-[2-(5-fluoro-2-methoxyphenyl)ethyl]benzenesulfonamide
CID 110787683
4-(2,5-dioxopyrrolidin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 22695567
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 3518199

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide?
The IUPAC name of N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide (CID 28567796) is N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide.
What is the SMILES notation for N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide?
The canonical SMILES for N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide is COc1ccccc1CCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide?
The InChIKey is JMVZCTKFXGDTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4S/c1-26-22-12-6-5-8-18(22)9-7-17-23-28(24,25)21-15-13-20(14-16-21)27-19-10-3-2-4-11-19/h2-6,8,10-16,23H,7,9,17H2,1H3.
What are the key properties of N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide?
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide has a molecular weight of 397.50 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide is sourced from PubChem (CID 28567796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).