4-methylsulfonylbutane-1-sulfonamide

C5H13NO4S2 — CID 123891803

IUPAC4-methylsulfonylbutane-1-sulfonamide
SMILESCS(=O)(=O)CCCCS(N)(=O)=O
InChIInChI=1S/C5H13NO4S2/c1-11(7,8)4-2-3-5-12(6,9)10/h2-5H2,1H3,(H2,6,9,10)
InChIKeyAWXKEKFJXAXDFU-UHFFFAOYSA-N
MW215.30 g/mol
LogP-0.90
Rot. Bonds5

About 4-methylsulfonylbutane-1-sulfonamide

4-methylsulfonylbutane-1-sulfonamide (PubChem CID 123891803) has the molecular formula C5H13NO4S2 and a molecular weight of 215.30 g/mol. Its IUPAC name is 4-methylsulfonylbutane-1-sulfonamide.

Molecular Properties

Compound Name4-methylsulfonylbutane-1-sulfonamide
PubChem CID123891803
Molecular FormulaC5H13NO4S2
Molecular Weight215.30 g/mol
Exact Mass215.03
IUPAC Name4-methylsulfonylbutane-1-sulfonamide
SMILESCS(=O)(=O)CCCCS(N)(=O)=O
InChIInChI=1S/C5H13NO4S2/c1-11(7,8)4-2-3-5-12(6,9)10/h2-5H2,1H3,(H2,6,9,10)
InChIKeyAWXKEKFJXAXDFU-UHFFFAOYSA-N
XLogP-0.90
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 5-0.90
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 4-methylsulfonylbutane-1-sulfonamide?
The IUPAC name of 4-methylsulfonylbutane-1-sulfonamide (CID 123891803) is 4-methylsulfonylbutane-1-sulfonamide.
What is the SMILES notation for 4-methylsulfonylbutane-1-sulfonamide?
The canonical SMILES for 4-methylsulfonylbutane-1-sulfonamide is CS(=O)(=O)CCCCS(N)(=O)=O.
What is the InChIKey of 4-methylsulfonylbutane-1-sulfonamide?
The InChIKey is AWXKEKFJXAXDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO4S2/c1-11(7,8)4-2-3-5-12(6,9)10/h2-5H2,1H3,(H2,6,9,10).
What are the key properties of 4-methylsulfonylbutane-1-sulfonamide?
4-methylsulfonylbutane-1-sulfonamide has a molecular weight of 215.30 g/mol, XLogP of -0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylbutane-1-sulfonamide is sourced from PubChem (CID 123891803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).