(2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene

C15H31NO2S — CID 143377507

IUPAC(2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene
SMILESC/C=C(\C=C/CC)S(=O)(=O)NCCCC.C=C.CC
InChIInChI=1S/C11H21NO2S.C2H6.C2H4/c1-4-7-9-11(6-3)15(13,14)12-10-8-5-2;2*1-2/h6-7,9,12H,4-5,8,10H2,1-3H3;1-2H3;1-2H2/b9-7-,11-6+;;
InChIKeyKCIOHZSTNNWNMD-USHZCZBWSA-N
MW289.49 g/mol
LogP4.40
Rot. Bonds7

About (2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene

(2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene (PubChem CID 143377507) has the molecular formula C15H31NO2S and a molecular weight of 289.49 g/mol. Its IUPAC name is (2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene.

Molecular Properties

Compound Name(2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene
PubChem CID143377507
Molecular FormulaC15H31NO2S
Molecular Weight289.49 g/mol
Exact Mass289.21
IUPAC Name(2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene
SMILESC/C=C(\C=C/CC)S(=O)(=O)NCCCC.C=C.CC
InChIInChI=1S/C11H21NO2S.C2H6.C2H4/c1-4-7-9-11(6-3)15(13,14)12-10-8-5-2;2*1-2/h6-7,9,12H,4-5,8,10H2,1-3H3;1-2H3;1-2H2/b9-7-,11-6+;;
InChIKeyKCIOHZSTNNWNMD-USHZCZBWSA-N
XLogP4.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene?
The IUPAC name of (2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene (CID 143377507) is (2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene.
What is the SMILES notation for (2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene?
The canonical SMILES for (2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene is C/C=C(\C=C/CC)S(=O)(=O)NCCCC.C=C.CC.
What is the InChIKey of (2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene?
The InChIKey is KCIOHZSTNNWNMD-USHZCZBWSA-N. The full InChI is InChI=1S/C11H21NO2S.C2H6.C2H4/c1-4-7-9-11(6-3)15(13,14)12-10-8-5-2;2*1-2/h6-7,9,12H,4-5,8,10H2,1-3H3;1-2H3;1-2H2/b9-7-,11-6+;;.
What are the key properties of (2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene?
(2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene has a molecular weight of 289.49 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-butylhepta-2,4-diene-3-sulfonamide;ethane;ethene is sourced from PubChem (CID 143377507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).