N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide

C12H15NO3S — CID 144951413

IUPACN-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide
SMILESC=C(/C=C\C(=C)c1ccc(C)o1)NS(C)(=O)=O
InChIInChI=1S/C12H15NO3S/c1-9(12-8-7-11(3)16-12)5-6-10(2)13-17(4,14)15/h5-8,13H,1-2H2,3-4H3/b6-5-
InChIKeyPQXGNXLAZKVXKW-WAYWQWQTSA-N
MW253.32 g/mol
LogP2.22
Rot. Bonds5

About N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide

N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide (PubChem CID 144951413) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide
PubChem CID144951413
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC NameN-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide
SMILESC=C(/C=C\C(=C)c1ccc(C)o1)NS(C)(=O)=O
InChIInChI=1S/C12H15NO3S/c1-9(12-8-7-11(3)16-12)5-6-10(2)13-17(4,14)15/h5-8,13H,1-2H2,3-4H3/b6-5-
InChIKeyPQXGNXLAZKVXKW-WAYWQWQTSA-N
XLogP2.22
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide?
The IUPAC name of N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide (CID 144951413) is N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide?
The canonical SMILES for N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide is C=C(/C=C\C(=C)c1ccc(C)o1)NS(C)(=O)=O.
What is the InChIKey of N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide?
The InChIKey is PQXGNXLAZKVXKW-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-9(12-8-7-11(3)16-12)5-6-10(2)13-17(4,14)15/h5-8,13H,1-2H2,3-4H3/b6-5-.
What are the key properties of N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide?
N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide has a molecular weight of 253.32 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-5-(5-methylfuran-2-yl)hexa-1,3,5-trien-2-yl]methanesulfonamide is sourced from PubChem (CID 144951413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).