N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide

C21H21NO4S — CID 4880111

IUPACN-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCOc1ccccc1N(CCOc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21NO4S/c1-25-21-15-9-8-14-20(21)22(16-17-26-18-10-4-2-5-11-18)27(23,24)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3
InChIKeyGPJLGAIEUOJUFW-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.97
Rot. Bonds8

About N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide

N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide (PubChem CID 4880111) has the molecular formula C21H21NO4S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
PubChem CID4880111
Molecular FormulaC21H21NO4S
Molecular Weight383.47 g/mol
Exact Mass383.12
IUPAC NameN-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
SMILESCOc1ccccc1N(CCOc1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H21NO4S/c1-25-21-15-9-8-14-20(21)22(16-17-26-18-10-4-2-5-11-18)27(23,24)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3
InChIKeyGPJLGAIEUOJUFW-UHFFFAOYSA-N
XLogP3.97
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide?
The IUPAC name of N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide (CID 4880111) is N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide is COc1ccccc1N(CCOc1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide?
The InChIKey is GPJLGAIEUOJUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4S/c1-25-21-15-9-8-14-20(21)22(16-17-26-18-10-4-2-5-11-18)27(23,24)19-12-6-3-7-13-19/h2-15H,16-17H2,1H3.
What are the key properties of N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide?
N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.97, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide is sourced from PubChem (CID 4880111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).