4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide

C14H16N2O4S2 — CID 2217668

IUPAC4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H16N2O4S2/c15-21(17,18)13-8-6-12(7-9-13)10-11-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,15,17,18)
InChIKeyAQHYGCRZCFWPCK-UHFFFAOYSA-N
MW340.43 g/mol
LogP0.86
Rot. Bonds6

About 4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide

4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide (PubChem CID 2217668) has the molecular formula C14H16N2O4S2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide
PubChem CID2217668
Molecular FormulaC14H16N2O4S2
Molecular Weight340.43 g/mol
Exact Mass340.06
IUPAC Name4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C14H16N2O4S2/c15-21(17,18)13-8-6-12(7-9-13)10-11-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,15,17,18)
InChIKeyAQHYGCRZCFWPCK-UHFFFAOYSA-N
XLogP0.86
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide (CID 2217668) is 4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide?
The InChIKey is AQHYGCRZCFWPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S2/c15-21(17,18)13-8-6-12(7-9-13)10-11-16-22(19,20)14-4-2-1-3-5-14/h1-9,16H,10-11H2,(H2,15,17,18).
What are the key properties of 4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide?
4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide has a molecular weight of 340.43 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(benzenesulfonamido)ethyl]benzenesulfonamide is sourced from PubChem (CID 2217668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).