N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide

C16H20N2O5S2 — CID 2270178

IUPACN-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOCCNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2O5S2/c19-24(20,15-7-3-1-4-8-15)17-11-13-23-14-12-18-25(21,22)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyKBLYZZFKHUJJQK-UHFFFAOYSA-N
MW384.48 g/mol
LogP0.96
Rot. Bonds10

About N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide

N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide (PubChem CID 2270178) has the molecular formula C16H20N2O5S2 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide
PubChem CID2270178
Molecular FormulaC16H20N2O5S2
Molecular Weight384.48 g/mol
Exact Mass384.08
IUPAC NameN-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOCCNS(=O)(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20N2O5S2/c19-24(20,15-7-3-1-4-8-15)17-11-13-23-14-12-18-25(21,22)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2
InChIKeyKBLYZZFKHUJJQK-UHFFFAOYSA-N
XLogP0.96
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide?
The IUPAC name of N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide (CID 2270178) is N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide is O=S(=O)(NCCOCCNS(=O)(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide?
The InChIKey is KBLYZZFKHUJJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5S2/c19-24(20,15-7-3-1-4-8-15)17-11-13-23-14-12-18-25(21,22)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2.
What are the key properties of N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide?
N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide has a molecular weight of 384.48 g/mol, XLogP of 0.96, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(benzenesulfonamido)ethoxy]ethyl]benzenesulfonamide is sourced from PubChem (CID 2270178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).