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

C22H36N2O3S — CID 25023566

IUPACN-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)Cc2ccccc2)CCCN1
InChIInChI=1S/C22H36N2O3S/c25-22-17-11-6-4-2-1-3-5-10-15-21(16-12-18-23-22)24-28(26,27)19-20-13-8-7-9-14-20/h7-9,13-14,21,24H,1-6,10-12,15-19H2,(H,23,25)
InChIKeyNZTMPMAWIYHBHD-UHFFFAOYSA-N
MW408.61 g/mol
LogP4.29
Rot. Bonds4

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

N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide (PubChem CID 25023566) has the molecular formula C22H36N2O3S and a molecular weight of 408.61 g/mol. Its IUPAC name is N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide
PubChem CID25023566
Molecular FormulaC22H36N2O3S
Molecular Weight408.61 g/mol
Exact Mass408.24
IUPAC NameN-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)Cc2ccccc2)CCCN1
InChIInChI=1S/C22H36N2O3S/c25-22-17-11-6-4-2-1-3-5-10-15-21(16-12-18-23-22)24-28(26,27)19-20-13-8-7-9-14-20/h7-9,13-14,21,24H,1-6,10-12,15-19H2,(H,23,25)
InChIKeyNZTMPMAWIYHBHD-UHFFFAOYSA-N
XLogP4.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
The IUPAC name of N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide (CID 25023566) is N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide.
What is the SMILES notation for N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
The canonical SMILES for N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide is O=C1CCCCCCCCCCC(NS(=O)(=O)Cc2ccccc2)CCCN1.
What is the InChIKey of N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
The InChIKey is NZTMPMAWIYHBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3S/c25-22-17-11-6-4-2-1-3-5-10-15-21(16-12-18-23-22)24-28(26,27)19-20-13-8-7-9-14-20/h7-9,13-14,21,24H,1-6,10-12,15-19H2,(H,23,25).
What are the key properties of N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide?
N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide has a molecular weight of 408.61 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(16-oxo-azacyclohexadec-5-yl)-1-phenylmethanesulfonamide is sourced from PubChem (CID 25023566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).