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

C15H17NO3S — CID 739803

IUPAC4-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-19-14-7-9-15(10-8-14)20(17,18)16-12-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyIHDPRNVWTWLKNM-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.22
Rot. Bonds6

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

4-methoxy-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 739803) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is 4-methoxy-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2-phenylethyl)benzenesulfonamide
PubChem CID739803
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Name4-methoxy-N-(2-phenylethyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C15H17NO3S/c1-19-14-7-9-15(10-8-14)20(17,18)16-12-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3
InChIKeyIHDPRNVWTWLKNM-UHFFFAOYSA-N
XLogP2.22
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2-phenylethyl)benzenesulfonamide (CID 739803) is 4-methoxy-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2-phenylethyl)benzenesulfonamide is COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is IHDPRNVWTWLKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-19-14-7-9-15(10-8-14)20(17,18)16-12-11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3.
What are the key properties of 4-methoxy-N-(2-phenylethyl)benzenesulfonamide?
4-methoxy-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 291.37 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 739803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).