2-phenylethylsulfonylmethanesulfonamide

C9H13NO4S2 — CID 14460414

IUPAC2-phenylethylsulfonylmethanesulfonamide
SMILESNS(=O)(=O)CS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C9H13NO4S2/c10-16(13,14)8-15(11,12)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,10,13,14)
InChIKeyPPQITNJYZQAECF-UHFFFAOYSA-N
MW263.34 g/mol
LogP-0.11
Rot. Bonds5

About 2-phenylethylsulfonylmethanesulfonamide

2-phenylethylsulfonylmethanesulfonamide (PubChem CID 14460414) has the molecular formula C9H13NO4S2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-phenylethylsulfonylmethanesulfonamide.

Molecular Properties

Compound Name2-phenylethylsulfonylmethanesulfonamide
PubChem CID14460414
Molecular FormulaC9H13NO4S2
Molecular Weight263.34 g/mol
Exact Mass263.03
IUPAC Name2-phenylethylsulfonylmethanesulfonamide
SMILESNS(=O)(=O)CS(=O)(=O)CCc1ccccc1
InChIInChI=1S/C9H13NO4S2/c10-16(13,14)8-15(11,12)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,10,13,14)
InChIKeyPPQITNJYZQAECF-UHFFFAOYSA-N
XLogP-0.11
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-phenylethylsulfonylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-phenylethylsulfonylmethanesulfonamide?
The IUPAC name of 2-phenylethylsulfonylmethanesulfonamide (CID 14460414) is 2-phenylethylsulfonylmethanesulfonamide.
What is the SMILES notation for 2-phenylethylsulfonylmethanesulfonamide?
The canonical SMILES for 2-phenylethylsulfonylmethanesulfonamide is NS(=O)(=O)CS(=O)(=O)CCc1ccccc1.
What is the InChIKey of 2-phenylethylsulfonylmethanesulfonamide?
The InChIKey is PPQITNJYZQAECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO4S2/c10-16(13,14)8-15(11,12)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,10,13,14).
What are the key properties of 2-phenylethylsulfonylmethanesulfonamide?
2-phenylethylsulfonylmethanesulfonamide has a molecular weight of 263.34 g/mol, XLogP of -0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylethylsulfonylmethanesulfonamide is sourced from PubChem (CID 14460414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).