N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide

C7H12FNO2S — CID 91271231

IUPACN-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide
SMILESCC=C(F)C(=CC)NS(C)(=O)=O
InChIInChI=1S/C7H12FNO2S/c1-4-6(8)7(5-2)9-12(3,10)11/h4-5,9H,1-3H3
InChIKeyVPEGYOZNEXCWFZ-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.31
Rot. Bonds3

About N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide

N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide (PubChem CID 91271231) has the molecular formula C7H12FNO2S and a molecular weight of 193.24 g/mol. Its IUPAC name is N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide
PubChem CID91271231
Molecular FormulaC7H12FNO2S
Molecular Weight193.24 g/mol
Exact Mass193.06
IUPAC NameN-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide
SMILESCC=C(F)C(=CC)NS(C)(=O)=O
InChIInChI=1S/C7H12FNO2S/c1-4-6(8)7(5-2)9-12(3,10)11/h4-5,9H,1-3H3
InChIKeyVPEGYOZNEXCWFZ-UHFFFAOYSA-N
XLogP1.31
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide?
The IUPAC name of N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide (CID 91271231) is N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide?
The canonical SMILES for N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide is CC=C(F)C(=CC)NS(C)(=O)=O.
What is the InChIKey of N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide?
The InChIKey is VPEGYOZNEXCWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2S/c1-4-6(8)7(5-2)9-12(3,10)11/h4-5,9H,1-3H3.
What are the key properties of N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide?
N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide has a molecular weight of 193.24 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorohexa-2,4-dien-3-yl)methanesulfonamide is sourced from PubChem (CID 91271231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).