4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide

C9H11F3N2O4S2 — CID 4616277

IUPAC4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H11F3N2O4S2/c10-9(11,12)20(17,18)14-6-5-7-1-3-8(4-2-7)19(13,15)16/h1-4,14H,5-6H2,(H2,13,15,16)
InChIKeyULCNVVRKYDOLCA-UHFFFAOYSA-N
MW332.33 g/mol
LogP0.32
Rot. Bonds5

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

4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide (PubChem CID 4616277) has the molecular formula C9H11F3N2O4S2 and a molecular weight of 332.33 g/mol. Its IUPAC name is 4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide
PubChem CID4616277
Molecular FormulaC9H11F3N2O4S2
Molecular Weight332.33 g/mol
Exact Mass332.01
IUPAC Name4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C9H11F3N2O4S2/c10-9(11,12)20(17,18)14-6-5-7-1-3-8(4-2-7)19(13,15)16/h1-4,14H,5-6H2,(H2,13,15,16)
InChIKeyULCNVVRKYDOLCA-UHFFFAOYSA-N
XLogP0.32
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide (CID 4616277) is 4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCNS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide?
The InChIKey is ULCNVVRKYDOLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O4S2/c10-9(11,12)20(17,18)14-6-5-7-1-3-8(4-2-7)19(13,15)16/h1-4,14H,5-6H2,(H2,13,15,16).
What are the key properties of 4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide?
4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide has a molecular weight of 332.33 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethylsulfonylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 4616277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).