N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide

C20H32N2O3S — CID 25023568

IUPACN-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide
SMILESO=C1CCCCCCCCCCCN1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H32N2O3S/c23-20-15-11-6-4-2-1-3-5-7-12-17-22(20)18-16-21-26(24,25)19-13-9-8-10-14-19/h8-10,13-14,21H,1-7,11-12,15-18H2
InChIKeyMEAFJPFVXIDHCY-UHFFFAOYSA-N
MW380.55 g/mol
LogP3.71
Rot. Bonds5

About N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide

N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide (PubChem CID 25023568) has the molecular formula C20H32N2O3S and a molecular weight of 380.55 g/mol. Its IUPAC name is N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide
PubChem CID25023568
Molecular FormulaC20H32N2O3S
Molecular Weight380.55 g/mol
Exact Mass380.21
IUPAC NameN-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide
SMILESO=C1CCCCCCCCCCCN1CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C20H32N2O3S/c23-20-15-11-6-4-2-1-3-5-7-12-17-22(20)18-16-21-26(24,25)19-13-9-8-10-14-19/h8-10,13-14,21H,1-7,11-12,15-18H2
InChIKeyMEAFJPFVXIDHCY-UHFFFAOYSA-N
XLogP3.71
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide (CID 25023568) is N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide is O=C1CCCCCCCCCCCN1CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide?
The InChIKey is MEAFJPFVXIDHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3S/c23-20-15-11-6-4-2-1-3-5-7-12-17-22(20)18-16-21-26(24,25)19-13-9-8-10-14-19/h8-10,13-14,21H,1-7,11-12,15-18H2.
What are the key properties of N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide?
N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide has a molecular weight of 380.55 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-azacyclotridec-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 25023568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).