N-benzyl-2-(2-phenylethylamino)benzenesulfonamide

C21H22N2O2S — CID 44601980

IUPACN-benzyl-2-(2-phenylethylamino)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccccc1NCCc1ccccc1
InChIInChI=1S/C21H22N2O2S/c24-26(25,23-17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)22-16-15-18-9-3-1-4-10-18/h1-14,22-23H,15-17H2
InChIKeyPRBFCVXKACQMGA-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.82
Rot. Bonds8

About N-benzyl-2-(2-phenylethylamino)benzenesulfonamide

N-benzyl-2-(2-phenylethylamino)benzenesulfonamide (PubChem CID 44601980) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-benzyl-2-(2-phenylethylamino)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-2-(2-phenylethylamino)benzenesulfonamide
PubChem CID44601980
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-benzyl-2-(2-phenylethylamino)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccccc1NCCc1ccccc1
InChIInChI=1S/C21H22N2O2S/c24-26(25,23-17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)22-16-15-18-9-3-1-4-10-18/h1-14,22-23H,15-17H2
InChIKeyPRBFCVXKACQMGA-UHFFFAOYSA-N
XLogP3.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-phenylethylamino)benzenesulfonamide?
The IUPAC name of N-benzyl-2-(2-phenylethylamino)benzenesulfonamide (CID 44601980) is N-benzyl-2-(2-phenylethylamino)benzenesulfonamide.
What is the SMILES notation for N-benzyl-2-(2-phenylethylamino)benzenesulfonamide?
The canonical SMILES for N-benzyl-2-(2-phenylethylamino)benzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccccc1NCCc1ccccc1.
What is the InChIKey of N-benzyl-2-(2-phenylethylamino)benzenesulfonamide?
The InChIKey is PRBFCVXKACQMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c24-26(25,23-17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)22-16-15-18-9-3-1-4-10-18/h1-14,22-23H,15-17H2.
What are the key properties of N-benzyl-2-(2-phenylethylamino)benzenesulfonamide?
N-benzyl-2-(2-phenylethylamino)benzenesulfonamide has a molecular weight of 366.49 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-phenylethylamino)benzenesulfonamide is sourced from PubChem (CID 44601980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).