N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide

C13H21NO2S — CID 89386130

IUPACN-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide
SMILESC=C(/C=C\C(=C/C)C(=C)C)NS(=O)(=O)C(C)C
InChIInChI=1S/C13H21NO2S/c1-7-13(10(2)3)9-8-12(6)14-17(15,16)11(4)5/h7-9,11,14H,2,6H2,1,3-5H3/b9-8-,13-7+
InChIKeyGFQZOWHKAZBKPK-URSXUPEYSA-N
MW255.38 g/mol
LogP2.91
Rot. Bonds6

About N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide

N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide (PubChem CID 89386130) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide
PubChem CID89386130
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC NameN-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide
SMILESC=C(/C=C\C(=C/C)C(=C)C)NS(=O)(=O)C(C)C
InChIInChI=1S/C13H21NO2S/c1-7-13(10(2)3)9-8-12(6)14-17(15,16)11(4)5/h7-9,11,14H,2,6H2,1,3-5H3/b9-8-,13-7+
InChIKeyGFQZOWHKAZBKPK-URSXUPEYSA-N
XLogP2.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.91
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-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide?
The IUPAC name of N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide (CID 89386130) is N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide.
What is the SMILES notation for N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide?
The canonical SMILES for N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide is C=C(/C=C\C(=C/C)C(=C)C)NS(=O)(=O)C(C)C.
What is the InChIKey of N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide?
The InChIKey is GFQZOWHKAZBKPK-URSXUPEYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-7-13(10(2)3)9-8-12(6)14-17(15,16)11(4)5/h7-9,11,14H,2,6H2,1,3-5H3/b9-8-,13-7+.
What are the key properties of N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide?
N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-5-prop-1-en-2-ylhepta-1,3,5-trien-2-yl]propane-2-sulfonamide is sourced from PubChem (CID 89386130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).