bicyclo[2.2.1]hept-2-ene-2-sulfonamide

C7H11NO2S — CID 54572480

IUPACbicyclo[2.2.1]hept-2-ene-2-sulfonamide
SMILESNS(=O)(=O)C1=CC2CCC1C2
InChIInChI=1S/C7H11NO2S/c8-11(9,10)7-4-5-1-2-6(7)3-5/h4-6H,1-3H2,(H2,8,9,10)
InChIKeyZYHKEEOCCQTHFF-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.59
Rot. Bonds1

About bicyclo[2.2.1]hept-2-ene-2-sulfonamide

bicyclo[2.2.1]hept-2-ene-2-sulfonamide (PubChem CID 54572480) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is bicyclo[2.2.1]hept-2-ene-2-sulfonamide.

Molecular Properties

Compound Namebicyclo[2.2.1]hept-2-ene-2-sulfonamide
PubChem CID54572480
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Namebicyclo[2.2.1]hept-2-ene-2-sulfonamide
SMILESNS(=O)(=O)C1=CC2CCC1C2
InChIInChI=1S/C7H11NO2S/c8-11(9,10)7-4-5-1-2-6(7)3-5/h4-6H,1-3H2,(H2,8,9,10)
InChIKeyZYHKEEOCCQTHFF-UHFFFAOYSA-N
XLogP0.59
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]hept-2-ene-2-sulfonamide?
The IUPAC name of bicyclo[2.2.1]hept-2-ene-2-sulfonamide (CID 54572480) is bicyclo[2.2.1]hept-2-ene-2-sulfonamide.
What is the SMILES notation for bicyclo[2.2.1]hept-2-ene-2-sulfonamide?
The canonical SMILES for bicyclo[2.2.1]hept-2-ene-2-sulfonamide is NS(=O)(=O)C1=CC2CCC1C2.
What is the InChIKey of bicyclo[2.2.1]hept-2-ene-2-sulfonamide?
The InChIKey is ZYHKEEOCCQTHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c8-11(9,10)7-4-5-1-2-6(7)3-5/h4-6H,1-3H2,(H2,8,9,10).
What are the key properties of bicyclo[2.2.1]hept-2-ene-2-sulfonamide?
bicyclo[2.2.1]hept-2-ene-2-sulfonamide has a molecular weight of 173.24 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]hept-2-ene-2-sulfonamide is sourced from PubChem (CID 54572480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).