N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide

C22H35NO4S — CID 25023384

IUPACN-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)Cc2ccccc2)CCCO1
InChIInChI=1S/C22H35NO4S/c24-22-17-11-6-4-2-1-3-5-10-15-21(16-12-18-27-22)23-28(25,26)19-20-13-8-7-9-14-20/h7-9,13-14,21,23H,1-6,10-12,15-19H2
InChIKeyVRDWETXOYPQKRF-UHFFFAOYSA-N
MW409.59 g/mol
LogP4.71
Rot. Bonds4

About N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide

N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide (PubChem CID 25023384) has the molecular formula C22H35NO4S and a molecular weight of 409.59 g/mol. Its IUPAC name is N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
PubChem CID25023384
Molecular FormulaC22H35NO4S
Molecular Weight409.59 g/mol
Exact Mass409.23
IUPAC NameN-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)Cc2ccccc2)CCCO1
InChIInChI=1S/C22H35NO4S/c24-22-17-11-6-4-2-1-3-5-10-15-21(16-12-18-27-22)23-28(25,26)19-20-13-8-7-9-14-20/h7-9,13-14,21,23H,1-6,10-12,15-19H2
InChIKeyVRDWETXOYPQKRF-UHFFFAOYSA-N
XLogP4.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.59
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide (CID 25023384) is N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide is O=C1CCCCCCCCCCC(NS(=O)(=O)Cc2ccccc2)CCCO1.
What is the InChIKey of N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
The InChIKey is VRDWETXOYPQKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO4S/c24-22-17-11-6-4-2-1-3-5-10-15-21(16-12-18-27-22)23-28(25,26)19-20-13-8-7-9-14-20/h7-9,13-14,21,23H,1-6,10-12,15-19H2.
What are the key properties of N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide has a molecular weight of 409.59 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16-oxo-oxacyclohexadec-5-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 25023384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).