N-benzyl-4-morpholin-4-ylsulfonylaniline

C17H20N2O3S — CID 2951260

IUPACN-benzyl-4-morpholin-4-ylsulfonylaniline
SMILESO=S(=O)(c1ccc(NCc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C17H20N2O3S/c20-23(21,19-10-12-22-13-11-19)17-8-6-16(7-9-17)18-14-15-4-2-1-3-5-15/h1-9,18H,10-14H2
InChIKeyZZILDAUKNFCVGJ-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.32
Rot. Bonds5

About N-benzyl-4-morpholin-4-ylsulfonylaniline

N-benzyl-4-morpholin-4-ylsulfonylaniline (PubChem CID 2951260) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-benzyl-4-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound NameN-benzyl-4-morpholin-4-ylsulfonylaniline
PubChem CID2951260
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC NameN-benzyl-4-morpholin-4-ylsulfonylaniline
SMILESO=S(=O)(c1ccc(NCc2ccccc2)cc1)N1CCOCC1
InChIInChI=1S/C17H20N2O3S/c20-23(21,19-10-12-22-13-11-19)17-8-6-16(7-9-17)18-14-15-4-2-1-3-5-15/h1-9,18H,10-14H2
InChIKeyZZILDAUKNFCVGJ-UHFFFAOYSA-N
XLogP2.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-benzyl-4-morpholin-4-ylsulfonylaniline 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-benzyl-4-morpholin-4-ylsulfonylaniline?
The IUPAC name of N-benzyl-4-morpholin-4-ylsulfonylaniline (CID 2951260) is N-benzyl-4-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for N-benzyl-4-morpholin-4-ylsulfonylaniline?
The canonical SMILES for N-benzyl-4-morpholin-4-ylsulfonylaniline is O=S(=O)(c1ccc(NCc2ccccc2)cc1)N1CCOCC1.
What is the InChIKey of N-benzyl-4-morpholin-4-ylsulfonylaniline?
The InChIKey is ZZILDAUKNFCVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-23(21,19-10-12-22-13-11-19)17-8-6-16(7-9-17)18-14-15-4-2-1-3-5-15/h1-9,18H,10-14H2.
What are the key properties of N-benzyl-4-morpholin-4-ylsulfonylaniline?
N-benzyl-4-morpholin-4-ylsulfonylaniline has a molecular weight of 332.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 2951260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).