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

C21H33NO4S — CID 25023258

IUPACN-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2)CCCO1
InChIInChI=1S/C21H33NO4S/c23-21-17-11-6-4-2-1-3-5-8-13-19(14-12-18-26-21)22-27(24,25)20-15-9-7-10-16-20/h7,9-10,15-16,19,22H,1-6,8,11-14,17-18H2
InChIKeyYEIALFAHRLERHN-UHFFFAOYSA-N
MW395.57 g/mol
LogP4.57
Rot. Bonds3

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

N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023258) has the molecular formula C21H33NO4S and a molecular weight of 395.57 g/mol. Its IUPAC name is N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023258
Molecular FormulaC21H33NO4S
Molecular Weight395.57 g/mol
Exact Mass395.21
IUPAC NameN-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2)CCCO1
InChIInChI=1S/C21H33NO4S/c23-21-17-11-6-4-2-1-3-5-8-13-19(14-12-18-26-21)22-27(24,25)20-15-9-7-10-16-20/h7,9-10,15-16,19,22H,1-6,8,11-14,17-18H2
InChIKeyYEIALFAHRLERHN-UHFFFAOYSA-N
XLogP4.57
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 54.57
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)benzenesulfonamide?
The IUPAC name of N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide (CID 25023258) is N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide is O=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2)CCCO1.
What is the InChIKey of N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is YEIALFAHRLERHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO4S/c23-21-17-11-6-4-2-1-3-5-8-13-19(14-12-18-26-21)22-27(24,25)20-15-9-7-10-16-20/h7,9-10,15-16,19,22H,1-6,8,11-14,17-18H2.
What are the key properties of N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide?
N-(16-oxo-oxacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 395.57 g/mol, XLogP of 4.57, 3 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)benzenesulfonamide is sourced from PubChem (CID 25023258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).