4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide

C21H21NO4S — CID 1281323

IUPAC4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H21NO4S/c1-25-20-9-5-6-10-21(20)26-18-11-13-19(14-12-18)27(23,24)22-16-15-17-7-3-2-4-8-17/h2-14,22H,15-16H2,1H3
InChIKeyWLLIKJIZXODLTF-UHFFFAOYSA-N
MW383.47 g/mol
LogP4.01
Rot. Bonds8

About 4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide

4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 1281323) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID1281323
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC Name4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H21NO4S/c1-25-20-9-5-6-10-21(20)26-18-11-13-19(14-12-18)27(23,24)22-16-15-17-7-3-2-4-8-17/h2-14,22H,15-16H2,1H3
InChIKeyWLLIKJIZXODLTF-UHFFFAOYSA-N
XLogP4.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 3518199
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509
1-(2-methoxyphenyl)-3-[4-(2-phenylethylsulfamoyl)phenyl]urea
CID 17379791
4-ethylsulfonyl-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 55915922
4-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 110316621
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-propylbenzenesulfonamide
CID 19680884
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
CID 961989
N-[2-(3,5-dimethoxyphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 25039968
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
N-benzyl-4-methoxybenzenesulfonamide
CID 741351

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide (CID 1281323) is 4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide is COc1ccccc1Oc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is WLLIKJIZXODLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-25-20-9-5-6-10-21(20)26-18-11-13-19(14-12-18)27(23,24)22-16-15-17-7-3-2-4-8-17/h2-14,22H,15-16H2,1H3.
What are the key properties of 4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide?
4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 1281323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).