(3E)-hexa-1,3,5-triene-3-sulfonamide

C6H9NO2S — CID 143985215

IUPAC(3E)-hexa-1,3,5-triene-3-sulfonamide
SMILESC=C/C=C(\C=C)S(N)(=O)=O
InChIInChI=1S/C6H9NO2S/c1-3-5-6(4-2)10(7,8)9/h3-5H,1-2H2,(H2,7,8,9)/b6-5+
InChIKeyQGHWUDFQSFLRRO-AATRIKPKSA-N
MW159.21 g/mol
LogP0.53
Rot. Bonds3

About (3E)-hexa-1,3,5-triene-3-sulfonamide

(3E)-hexa-1,3,5-triene-3-sulfonamide (PubChem CID 143985215) has the molecular formula C6H9NO2S and a molecular weight of 159.21 g/mol. Its IUPAC name is (3E)-hexa-1,3,5-triene-3-sulfonamide.

Molecular Properties

Compound Name(3E)-hexa-1,3,5-triene-3-sulfonamide
PubChem CID143985215
Molecular FormulaC6H9NO2S
Molecular Weight159.21 g/mol
Exact Mass159.04
IUPAC Name(3E)-hexa-1,3,5-triene-3-sulfonamide
SMILESC=C/C=C(\C=C)S(N)(=O)=O
InChIInChI=1S/C6H9NO2S/c1-3-5-6(4-2)10(7,8)9/h3-5H,1-2H2,(H2,7,8,9)/b6-5+
InChIKeyQGHWUDFQSFLRRO-AATRIKPKSA-N
XLogP0.53
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.21
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(2Z,4E)-5-sulfamoylhepta-2,4,6-trien-2-yl]boronic acid
CID 89369227
(3E,5Z)-3-[(3E)-hexa-1,3,5-trien-3-yl]sulfonylocta-1,3,5,7-tetraene
CID 138646292
(3E,5Z)-4-[(3E)-hexa-1,3,5-trien-3-yl]sulfonylocta-1,3,5,7-tetraene
CID 146621151
(3Z)-hexa-1,3,5-triene-2-sulfonamide
CID 126541743
N-fluoro-N-[(3E)-hexa-1,3,5-trien-3-yl]sulfonylbenzenesulfonamide
CID 145127504
(2Z)-penta-2,4-diene-2-sulfonic acid
CID 18761983
ethenesulfonamide
CID 520075
ethane;1-[(3E)-hexa-1,3,5-trien-3-yl]sulfonyl-3-methylpiperidine
CID 143725209
[(3E)-hexa-1,3,5-trien-3-yl]urea
CID 143228458
N-methylhepta-1,3,5-triene-4-sulfonamide
CID 123396879
(3E,5Z)-octa-1,3,5-triene-4-sulfonic acid
CID 89312576
ethane;methyl (3E,5Z)-octa-1,3,5,7-tetraene-4-sulfonate
CID 145077139

Frequently Asked Questions

What is the IUPAC name of (3E)-hexa-1,3,5-triene-3-sulfonamide?
The IUPAC name of (3E)-hexa-1,3,5-triene-3-sulfonamide (CID 143985215) is (3E)-hexa-1,3,5-triene-3-sulfonamide.
What is the SMILES notation for (3E)-hexa-1,3,5-triene-3-sulfonamide?
The canonical SMILES for (3E)-hexa-1,3,5-triene-3-sulfonamide is C=C/C=C(\C=C)S(N)(=O)=O.
What is the InChIKey of (3E)-hexa-1,3,5-triene-3-sulfonamide?
The InChIKey is QGHWUDFQSFLRRO-AATRIKPKSA-N. The full InChI is InChI=1S/C6H9NO2S/c1-3-5-6(4-2)10(7,8)9/h3-5H,1-2H2,(H2,7,8,9)/b6-5+.
What are the key properties of (3E)-hexa-1,3,5-triene-3-sulfonamide?
(3E)-hexa-1,3,5-triene-3-sulfonamide has a molecular weight of 159.21 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-hexa-1,3,5-triene-3-sulfonamide is sourced from PubChem (CID 143985215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).