(2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide

C8H12FNO2S — CID 89058341

IUPAC(2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide
SMILESC=C(F)/C=C\C(=C/C)S(=O)(=O)NC
InChIInChI=1S/C8H12FNO2S/c1-4-8(6-5-7(2)9)13(11,12)10-3/h4-6,10H,2H2,1,3H3/b6-5-,8-4+
InChIKeyKWCJDRXLPVZNIH-QNMAEOQASA-N
MW205.25 g/mol
LogP1.48
Rot. Bonds4

About (2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide

(2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide (PubChem CID 89058341) has the molecular formula C8H12FNO2S and a molecular weight of 205.25 g/mol. Its IUPAC name is (2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide.

Molecular Properties

Compound Name(2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide
PubChem CID89058341
Molecular FormulaC8H12FNO2S
Molecular Weight205.25 g/mol
Exact Mass205.06
IUPAC Name(2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide
SMILESC=C(F)/C=C\C(=C/C)S(=O)(=O)NC
InChIInChI=1S/C8H12FNO2S/c1-4-8(6-5-7(2)9)13(11,12)10-3/h4-6,10H,2H2,1,3H3/b6-5-,8-4+
InChIKeyKWCJDRXLPVZNIH-QNMAEOQASA-N
XLogP1.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.48
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 (2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide?
The IUPAC name of (2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide (CID 89058341) is (2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide.
What is the SMILES notation for (2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide?
The canonical SMILES for (2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide is C=C(F)/C=C\C(=C/C)S(=O)(=O)NC.
What is the InChIKey of (2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide?
The InChIKey is KWCJDRXLPVZNIH-QNMAEOQASA-N. The full InChI is InChI=1S/C8H12FNO2S/c1-4-8(6-5-7(2)9)13(11,12)10-3/h4-6,10H,2H2,1,3H3/b6-5-,8-4+.
What are the key properties of (2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide?
(2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide has a molecular weight of 205.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-fluoro-N-methylhepta-2,4,6-triene-3-sulfonamide is sourced from PubChem (CID 89058341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).