(3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide

C7H10FNO2S — CID 142082911

IUPAC(3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide
SMILESC=C(F)/C=C(\C(=C)C)S(N)(=O)=O
InChIInChI=1S/C7H10FNO2S/c1-5(2)7(4-6(3)8)12(9,10)11/h4H,1,3H2,2H3,(H2,9,10,11)/b7-4+
InChIKeyJENJIBSUNVTNIX-QPJJXVBHSA-N
MW191.23 g/mol
LogP1.22
Rot. Bonds3

About (3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide

(3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide (PubChem CID 142082911) has the molecular formula C7H10FNO2S and a molecular weight of 191.23 g/mol. Its IUPAC name is (3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide.

Molecular Properties

Compound Name(3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide
PubChem CID142082911
Molecular FormulaC7H10FNO2S
Molecular Weight191.23 g/mol
Exact Mass191.04
IUPAC Name(3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide
SMILESC=C(F)/C=C(\C(=C)C)S(N)(=O)=O
InChIInChI=1S/C7H10FNO2S/c1-5(2)7(4-6(3)8)12(9,10)11/h4H,1,3H2,2H3,(H2,9,10,11)/b7-4+
InChIKeyJENJIBSUNVTNIX-QPJJXVBHSA-N
XLogP1.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.22
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 (3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide?
The IUPAC name of (3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide (CID 142082911) is (3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide.
What is the SMILES notation for (3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide?
The canonical SMILES for (3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide is C=C(F)/C=C(\C(=C)C)S(N)(=O)=O.
What is the InChIKey of (3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide?
The InChIKey is JENJIBSUNVTNIX-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H10FNO2S/c1-5(2)7(4-6(3)8)12(9,10)11/h4H,1,3H2,2H3,(H2,9,10,11)/b7-4+.
What are the key properties of (3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide?
(3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide has a molecular weight of 191.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-fluoro-2-methylhexa-1,3,5-triene-3-sulfonamide is sourced from PubChem (CID 142082911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).