2-oxocycloheptane-1-sulfonamide

C7H13NO3S — CID 13398983

IUPAC2-oxocycloheptane-1-sulfonamide
SMILESNS(=O)(=O)C1CCCCCC1=O
InChIInChI=1S/C7H13NO3S/c8-12(10,11)7-5-3-1-2-4-6(7)9/h7H,1-5H2,(H2,8,10,11)
InChIKeyVYVHBEDXEGDWNT-UHFFFAOYSA-N
MW191.25 g/mol
LogP0.18
Rot. Bonds1

About 2-oxocycloheptane-1-sulfonamide

2-oxocycloheptane-1-sulfonamide (PubChem CID 13398983) has the molecular formula C7H13NO3S and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-oxocycloheptane-1-sulfonamide.

Molecular Properties

Compound Name2-oxocycloheptane-1-sulfonamide
PubChem CID13398983
Molecular FormulaC7H13NO3S
Molecular Weight191.25 g/mol
Exact Mass191.06
IUPAC Name2-oxocycloheptane-1-sulfonamide
SMILESNS(=O)(=O)C1CCCCCC1=O
InChIInChI=1S/C7H13NO3S/c8-12(10,11)7-5-3-1-2-4-6(7)9/h7H,1-5H2,(H2,8,10,11)
InChIKeyVYVHBEDXEGDWNT-UHFFFAOYSA-N
XLogP0.18
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxocycloheptane-1-sulfonamide?
The IUPAC name of 2-oxocycloheptane-1-sulfonamide (CID 13398983) is 2-oxocycloheptane-1-sulfonamide.
What is the SMILES notation for 2-oxocycloheptane-1-sulfonamide?
The canonical SMILES for 2-oxocycloheptane-1-sulfonamide is NS(=O)(=O)C1CCCCCC1=O.
What is the InChIKey of 2-oxocycloheptane-1-sulfonamide?
The InChIKey is VYVHBEDXEGDWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3S/c8-12(10,11)7-5-3-1-2-4-6(7)9/h7H,1-5H2,(H2,8,10,11).
What are the key properties of 2-oxocycloheptane-1-sulfonamide?
2-oxocycloheptane-1-sulfonamide has a molecular weight of 191.25 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxocycloheptane-1-sulfonamide is sourced from PubChem (CID 13398983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).