octylsulfonylmethanesulfonamide

C9H21NO4S2 — CID 14460418

IUPACoctylsulfonylmethanesulfonamide
SMILESCCCCCCCCS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C9H21NO4S2/c1-2-3-4-5-6-7-8-15(11,12)9-16(10,13)14/h2-9H2,1H3,(H2,10,13,14)
InChIKeyWMPBJNOZUYAWBF-UHFFFAOYSA-N
MW271.40 g/mol
LogP1.01
Rot. Bonds9

About octylsulfonylmethanesulfonamide

octylsulfonylmethanesulfonamide (PubChem CID 14460418) has the molecular formula C9H21NO4S2 and a molecular weight of 271.40 g/mol. Its IUPAC name is octylsulfonylmethanesulfonamide.

Molecular Properties

Compound Nameoctylsulfonylmethanesulfonamide
PubChem CID14460418
Molecular FormulaC9H21NO4S2
Molecular Weight271.40 g/mol
Exact Mass271.09
IUPAC Nameoctylsulfonylmethanesulfonamide
SMILESCCCCCCCCS(=O)(=O)CS(N)(=O)=O
InChIInChI=1S/C9H21NO4S2/c1-2-3-4-5-6-7-8-15(11,12)9-16(10,13)14/h2-9H2,1H3,(H2,10,13,14)
InChIKeyWMPBJNOZUYAWBF-UHFFFAOYSA-N
XLogP1.01
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 octylsulfonylmethanesulfonamide?
The IUPAC name of octylsulfonylmethanesulfonamide (CID 14460418) is octylsulfonylmethanesulfonamide.
What is the SMILES notation for octylsulfonylmethanesulfonamide?
The canonical SMILES for octylsulfonylmethanesulfonamide is CCCCCCCCS(=O)(=O)CS(N)(=O)=O.
What is the InChIKey of octylsulfonylmethanesulfonamide?
The InChIKey is WMPBJNOZUYAWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S2/c1-2-3-4-5-6-7-8-15(11,12)9-16(10,13)14/h2-9H2,1H3,(H2,10,13,14).
What are the key properties of octylsulfonylmethanesulfonamide?
octylsulfonylmethanesulfonamide has a molecular weight of 271.40 g/mol, XLogP of 1.01, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octylsulfonylmethanesulfonamide is sourced from PubChem (CID 14460418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).