N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide

C7H11F2NO2S — CID 130628533

IUPACN-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1C=CCCC1)C(F)F
InChIInChI=1S/C7H11F2NO2S/c8-7(9)13(11,12)10-6-4-2-1-3-5-6/h2,4,6-7,10H,1,3,5H2
InChIKeyPSFGMSCLDPRYGF-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.24
Rot. Bonds3

About N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide

N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide (PubChem CID 130628533) has the molecular formula C7H11F2NO2S and a molecular weight of 211.23 g/mol. Its IUPAC name is N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide
PubChem CID130628533
Molecular FormulaC7H11F2NO2S
Molecular Weight211.23 g/mol
Exact Mass211.05
IUPAC NameN-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NC1C=CCCC1)C(F)F
InChIInChI=1S/C7H11F2NO2S/c8-7(9)13(11,12)10-6-4-2-1-3-5-6/h2,4,6-7,10H,1,3,5H2
InChIKeyPSFGMSCLDPRYGF-UHFFFAOYSA-N
XLogP1.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide?
The IUPAC name of N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide (CID 130628533) is N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide is O=S(=O)(NC1C=CCCC1)C(F)F.
What is the InChIKey of N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide?
The InChIKey is PSFGMSCLDPRYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2S/c8-7(9)13(11,12)10-6-4-2-1-3-5-6/h2,4,6-7,10H,1,3,5H2.
What are the key properties of N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide?
N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide has a molecular weight of 211.23 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-2-en-1-yl-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 130628533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).