4-phenylhepta-1,6-diene-4-sulfonamide

C13H17NO2S — CID 174876491

IUPAC4-phenylhepta-1,6-diene-4-sulfonamide
SMILESC=CCC(CC=C)(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C13H17NO2S/c1-3-10-13(11-4-2,17(14,15)16)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2,(H2,14,15,16)
InChIKeyKKXUFTQLDWPRNT-UHFFFAOYSA-N
MW251.35 g/mol
LogP2.32
Rot. Bonds6

About 4-phenylhepta-1,6-diene-4-sulfonamide

4-phenylhepta-1,6-diene-4-sulfonamide (PubChem CID 174876491) has the molecular formula C13H17NO2S and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-phenylhepta-1,6-diene-4-sulfonamide.

Molecular Properties

Compound Name4-phenylhepta-1,6-diene-4-sulfonamide
PubChem CID174876491
Molecular FormulaC13H17NO2S
Molecular Weight251.35 g/mol
Exact Mass251.10
IUPAC Name4-phenylhepta-1,6-diene-4-sulfonamide
SMILESC=CCC(CC=C)(c1ccccc1)S(N)(=O)=O
InChIInChI=1S/C13H17NO2S/c1-3-10-13(11-4-2,17(14,15)16)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2,(H2,14,15,16)
InChIKeyKKXUFTQLDWPRNT-UHFFFAOYSA-N
XLogP2.32
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-phenylhepta-1,6-diene-4-sulfonamide?
The IUPAC name of 4-phenylhepta-1,6-diene-4-sulfonamide (CID 174876491) is 4-phenylhepta-1,6-diene-4-sulfonamide.
What is the SMILES notation for 4-phenylhepta-1,6-diene-4-sulfonamide?
The canonical SMILES for 4-phenylhepta-1,6-diene-4-sulfonamide is C=CCC(CC=C)(c1ccccc1)S(N)(=O)=O.
What is the InChIKey of 4-phenylhepta-1,6-diene-4-sulfonamide?
The InChIKey is KKXUFTQLDWPRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2S/c1-3-10-13(11-4-2,17(14,15)16)12-8-6-5-7-9-12/h3-9H,1-2,10-11H2,(H2,14,15,16).
What are the key properties of 4-phenylhepta-1,6-diene-4-sulfonamide?
4-phenylhepta-1,6-diene-4-sulfonamide has a molecular weight of 251.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylhepta-1,6-diene-4-sulfonamide is sourced from PubChem (CID 174876491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).