3-methyl-N-(2-phenylethyl)benzenesulfonamide

C15H17NO2S — CID 890664

IUPAC3-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H17NO2S/c1-13-6-5-9-15(12-13)19(17,18)16-11-10-14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3
InChIKeyLIORBEFOYWXZGL-UHFFFAOYSA-N
MW275.37 g/mol
LogP2.52
Rot. Bonds5

About 3-methyl-N-(2-phenylethyl)benzenesulfonamide

3-methyl-N-(2-phenylethyl)benzenesulfonamide (PubChem CID 890664) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is 3-methyl-N-(2-phenylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-(2-phenylethyl)benzenesulfonamide
PubChem CID890664
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name3-methyl-N-(2-phenylethyl)benzenesulfonamide
SMILESCc1cccc(S(=O)(=O)NCCc2ccccc2)c1
InChIInChI=1S/C15H17NO2S/c1-13-6-5-9-15(12-13)19(17,18)16-11-10-14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3
InChIKeyLIORBEFOYWXZGL-UHFFFAOYSA-N
XLogP2.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-phenylethyl)benzenesulfonamide?
The IUPAC name of 3-methyl-N-(2-phenylethyl)benzenesulfonamide (CID 890664) is 3-methyl-N-(2-phenylethyl)benzenesulfonamide.
What is the SMILES notation for 3-methyl-N-(2-phenylethyl)benzenesulfonamide?
The canonical SMILES for 3-methyl-N-(2-phenylethyl)benzenesulfonamide is Cc1cccc(S(=O)(=O)NCCc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-(2-phenylethyl)benzenesulfonamide?
The InChIKey is LIORBEFOYWXZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-13-6-5-9-15(12-13)19(17,18)16-11-10-14-7-3-2-4-8-14/h2-9,12,16H,10-11H2,1H3.
What are the key properties of 3-methyl-N-(2-phenylethyl)benzenesulfonamide?
3-methyl-N-(2-phenylethyl)benzenesulfonamide has a molecular weight of 275.37 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-phenylethyl)benzenesulfonamide is sourced from PubChem (CID 890664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).