4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide

C12H14FNO2S — CID 123338582

IUPAC4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide
SMILESCC=CC(=CC)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2S/c1-3-5-11(4-2)14-17(15,16)12-8-6-10(13)7-9-12/h3-9,14H,1-2H3
InChIKeyJQTSVXGQRSYUDQ-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.58
Rot. Bonds4

About 4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide

4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide (PubChem CID 123338582) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide
PubChem CID123338582
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide
SMILESCC=CC(=CC)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H14FNO2S/c1-3-5-11(4-2)14-17(15,16)12-8-6-10(13)7-9-12/h3-9,14H,1-2H3
InChIKeyJQTSVXGQRSYUDQ-UHFFFAOYSA-N
XLogP2.58
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.58
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 4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide (CID 123338582) is 4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide is CC=CC(=CC)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide?
The InChIKey is JQTSVXGQRSYUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c1-3-5-11(4-2)14-17(15,16)12-8-6-10(13)7-9-12/h3-9,14H,1-2H3.
What are the key properties of 4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide?
4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide has a molecular weight of 255.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hexa-2,4-dien-3-ylbenzenesulfonamide is sourced from PubChem (CID 123338582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).