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

C21H21NO3S — CID 2190924

IUPAC4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21NO3S/c1-25-20-11-7-18(8-12-20)19-9-13-21(14-10-19)26(23,24)22-16-15-17-5-3-2-4-6-17/h2-14,22H,15-16H2,1H3
InChIKeyXALWITFEIRRISN-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.88
Rot. Bonds7

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

4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 2190924) has the molecular formula C21H21NO3S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide
PubChem CID2190924
Molecular FormulaC21H21NO3S
Molecular Weight367.47 g/mol
Exact Mass367.12
IUPAC Name4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1
InChIInChI=1S/C21H21NO3S/c1-25-20-11-7-18(8-12-20)19-9-13-21(14-10-19)26(23,24)22-16-15-17-5-3-2-4-6-17/h2-14,22H,15-16H2,1H3
InChIKeyXALWITFEIRRISN-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide (CID 2190924) is 4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(-c2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is XALWITFEIRRISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3S/c1-25-20-11-7-18(8-12-20)19-9-13-21(14-10-19)26(23,24)22-16-15-17-5-3-2-4-6-17/h2-14,22H,15-16H2,1H3.
What are the key properties of 4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide?
4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 367.47 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 2190924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).