N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide

C17H21NO2S — CID 19680854

IUPACN-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-14(2)16-8-10-17(11-9-16)21(19,20)18-13-12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyOLILZLZVABLIRN-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.33
Rot. Bonds6

About N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide

N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 19680854) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID19680854
Molecular FormulaC17H21NO2S
Molecular Weight303.43 g/mol
Exact Mass303.13
IUPAC NameN-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C17H21NO2S/c1-14(2)16-8-10-17(11-9-16)21(19,20)18-13-12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3
InChIKeyOLILZLZVABLIRN-UHFFFAOYSA-N
XLogP3.33
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide (CID 19680854) is N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1.
What is the InChIKey of N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is OLILZLZVABLIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-14(2)16-8-10-17(11-9-16)21(19,20)18-13-12-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3.
What are the key properties of N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide?
N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 303.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 19680854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).