N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide

C7H12F3NO2S — CID 141352541

IUPACN-(5,6,6-trifluorohex-5-enyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCC(F)=C(F)F
InChIInChI=1S/C7H12F3NO2S/c1-14(12,13)11-5-3-2-4-6(8)7(9)10/h11H,2-5H2,1H3
InChIKeyRMNJENXJNGLVOQ-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.78
Rot. Bonds6

About N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide

N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide (PubChem CID 141352541) has the molecular formula C7H12F3NO2S and a molecular weight of 231.24 g/mol. Its IUPAC name is N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5,6,6-trifluorohex-5-enyl)methanesulfonamide
PubChem CID141352541
Molecular FormulaC7H12F3NO2S
Molecular Weight231.24 g/mol
Exact Mass231.05
IUPAC NameN-(5,6,6-trifluorohex-5-enyl)methanesulfonamide
SMILESCS(=O)(=O)NCCCCC(F)=C(F)F
InChIInChI=1S/C7H12F3NO2S/c1-14(12,13)11-5-3-2-4-6(8)7(9)10/h11H,2-5H2,1H3
InChIKeyRMNJENXJNGLVOQ-UHFFFAOYSA-N
XLogP1.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide?
The IUPAC name of N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide (CID 141352541) is N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide.
What is the SMILES notation for N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide?
The canonical SMILES for N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide is CS(=O)(=O)NCCCCC(F)=C(F)F.
What is the InChIKey of N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide?
The InChIKey is RMNJENXJNGLVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2S/c1-14(12,13)11-5-3-2-4-6(8)7(9)10/h11H,2-5H2,1H3.
What are the key properties of N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide?
N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide has a molecular weight of 231.24 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,6-trifluorohex-5-enyl)methanesulfonamide is sourced from PubChem (CID 141352541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).