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

C21H34N2O3S — CID 25023500

IUPACN-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2)CCCN1
InChIInChI=1S/C21H34N2O3S/c24-21-17-11-6-4-2-1-3-5-8-13-19(14-12-18-22-21)23-27(25,26)20-15-9-7-10-16-20/h7,9-10,15-16,19,23H,1-6,8,11-14,17-18H2,(H,22,24)
InChIKeyXVDPQQOAINIPHI-UHFFFAOYSA-N
MW394.58 g/mol
LogP4.14
Rot. Bonds3

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

N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide (PubChem CID 25023500) has the molecular formula C21H34N2O3S and a molecular weight of 394.58 g/mol. Its IUPAC name is N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
PubChem CID25023500
Molecular FormulaC21H34N2O3S
Molecular Weight394.58 g/mol
Exact Mass394.23
IUPAC NameN-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide
SMILESO=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2)CCCN1
InChIInChI=1S/C21H34N2O3S/c24-21-17-11-6-4-2-1-3-5-8-13-19(14-12-18-22-21)23-27(25,26)20-15-9-7-10-16-20/h7,9-10,15-16,19,23H,1-6,8,11-14,17-18H2,(H,22,24)
InChIKeyXVDPQQOAINIPHI-UHFFFAOYSA-N
XLogP4.14
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.58
LogP ≤ 54.14
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)benzenesulfonamide?
The IUPAC name of N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide (CID 25023500) is N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide.
What is the SMILES notation for N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
The canonical SMILES for N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide is O=C1CCCCCCCCCCC(NS(=O)(=O)c2ccccc2)CCCN1.
What is the InChIKey of N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
The InChIKey is XVDPQQOAINIPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3S/c24-21-17-11-6-4-2-1-3-5-8-13-19(14-12-18-22-21)23-27(25,26)20-15-9-7-10-16-20/h7,9-10,15-16,19,23H,1-6,8,11-14,17-18H2,(H,22,24).
What are the key properties of N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide?
N-(16-oxo-azacyclohexadec-5-yl)benzenesulfonamide has a molecular weight of 394.58 g/mol, XLogP of 4.14, 3 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)benzenesulfonamide is sourced from PubChem (CID 25023500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).