4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

C22H35NO4S — CID 25023259

IUPAC4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCCCCCCC(=O)OCCC2)cc1
InChIInChI=1S/C22H35NO4S/c1-19-14-16-21(17-15-19)28(25,26)23-20-11-8-6-4-2-3-5-7-9-13-22(24)27-18-10-12-20/h14-17,20,23H,2-13,18H2,1H3
InChIKeyNGHRHQFYOIJSQJ-UHFFFAOYSA-N
MW409.59 g/mol
LogP4.88
Rot. Bonds3

About 4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide

4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023259) has the molecular formula C22H35NO4S and a molecular weight of 409.59 g/mol. Its IUPAC name is 4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023259
Molecular FormulaC22H35NO4S
Molecular Weight409.59 g/mol
Exact Mass409.23
IUPAC Name4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCCCCCCCCCC(=O)OCCC2)cc1
InChIInChI=1S/C22H35NO4S/c1-19-14-16-21(17-15-19)28(25,26)23-20-11-8-6-4-2-3-5-7-9-13-22(24)27-18-10-12-20/h14-17,20,23H,2-13,18H2,1H3
InChIKeyNGHRHQFYOIJSQJ-UHFFFAOYSA-N
XLogP4.88
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.59
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide 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 4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (CID 25023259) is 4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCCCCCCCCCC(=O)OCCC2)cc1.
What is the InChIKey of 4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is NGHRHQFYOIJSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO4S/c1-19-14-16-21(17-15-19)28(25,26)23-20-11-8-6-4-2-3-5-7-9-13-22(24)27-18-10-12-20/h14-17,20,23H,2-13,18H2,1H3.
What are the key properties of 4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 409.59 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is sourced from PubChem (CID 25023259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).