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

C21H21NO3S — CID 3518199

IUPAC4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H21NO3S/c1-17-7-5-6-10-21(17)25-19-11-13-20(14-12-19)26(23,24)22-16-15-18-8-3-2-4-9-18/h2-14,22H,15-16H2,1H3
InChIKeyJVTCTULQSMYXKZ-UHFFFAOYSA-N
MW367.47 g/mol
LogP4.31
Rot. Bonds7

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

4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 3518199) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID3518199
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C21H21NO3S/c1-17-7-5-6-10-21(17)25-19-11-13-20(14-12-19)26(23,24)22-16-15-18-8-3-2-4-9-18/h2-14,22H,15-16H2,1H3
InChIKeyJVTCTULQSMYXKZ-UHFFFAOYSA-N
XLogP4.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
4-methylsulfanyl-N-(2-phenylethyl)benzenesulfonamide
CID 961989
4-fluoro-3-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 7314460
4-methoxy-3,5-dimethyl-N-(2-phenylethyl)benzenesulfonamide
CID 112822931
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
4-(2-aminophenoxy)-N-propylbenzenesulfonamide
CID 61026793
(2R)-3-methyl-2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]butanoic acid
CID 93216961
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide
CID 66907731
4-(benzenesulfonamido)-N-(2-phenylethyl)benzenesulfonamide
CID 5222462
4-hydrazinyl-N-(2-phenylethyl)benzenesulfonamide
CID 43454992
3-bromo-4-methoxy-N-(2-phenylethyl)benzenesulfonamide
CID 1120509

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide (CID 3518199) is 4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide is Cc1ccccc1Oc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is JVTCTULQSMYXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-17-7-5-6-10-21(17)25-19-11-13-20(14-12-19)26(23,24)22-16-15-18-8-3-2-4-9-18/h2-14,22H,15-16H2,1H3.
What are the key properties of 4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide?
4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 3518199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).