(Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide

C36H71NO2S — CID 87700000

IUPAC(Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide
SMILESCCCCCCCC/C=C\CCCCCCCCNS(=O)(=O)CCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C36H71NO2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(38,39)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18-
InChIKeyWTUWZWLEMCDJGW-CLFAGFIQSA-N
MW582.04 g/mol
LogP11.98
Rot. Bonds33

About (Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide

(Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide (PubChem CID 87700000) has the molecular formula C36H71NO2S and a molecular weight of 582.04 g/mol. Its IUPAC name is (Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide.

Molecular Properties

Compound Name(Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide
PubChem CID87700000
Molecular FormulaC36H71NO2S
Molecular Weight582.04 g/mol
Exact Mass581.52
IUPAC Name(Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide
SMILESCCCCCCCC/C=C\CCCCCCCCNS(=O)(=O)CCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C36H71NO2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(38,39)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18-
InChIKeyWTUWZWLEMCDJGW-CLFAGFIQSA-N
XLogP11.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds33
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.04
LogP ≤ 511.98
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide?
The IUPAC name of (Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide (CID 87700000) is (Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide.
What is the SMILES notation for (Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide?
The canonical SMILES for (Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide is CCCCCCCC/C=C\CCCCCCCCNS(=O)(=O)CCCCCCCC/C=C\CCCCCCCC.
What is the InChIKey of (Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide?
The InChIKey is WTUWZWLEMCDJGW-CLFAGFIQSA-N. The full InChI is InChI=1S/C36H71NO2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-40(38,39)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37H,3-16,21-36H2,1-2H3/b19-17-,20-18-.
What are the key properties of (Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide?
(Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide has a molecular weight of 582.04 g/mol, XLogP of 11.98, 33 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-octadec-9-enyl]octadec-9-ene-1-sulfonamide is sourced from PubChem (CID 87700000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).