(2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide

C13H24FNO2S — CID 143393015

IUPAC(2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide
SMILESC/C=C(/F)C/C(=C\C)S(=O)(=O)N(C)CCCCC
InChIInChI=1S/C13H24FNO2S/c1-5-8-9-10-15(4)18(16,17)13(7-3)11-12(14)6-2/h6-7H,5,8-11H2,1-4H3/b12-6+,13-7+
InChIKeyPZOPMGSTMOEXPO-PWHKKFIBSA-N
MW277.40 g/mol
LogP3.61
Rot. Bonds8

About (2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide

(2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide (PubChem CID 143393015) has the molecular formula C13H24FNO2S and a molecular weight of 277.40 g/mol. Its IUPAC name is (2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide.

Molecular Properties

Compound Name(2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide
PubChem CID143393015
Molecular FormulaC13H24FNO2S
Molecular Weight277.40 g/mol
Exact Mass277.15
IUPAC Name(2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide
SMILESC/C=C(/F)C/C(=C\C)S(=O)(=O)N(C)CCCCC
InChIInChI=1S/C13H24FNO2S/c1-5-8-9-10-15(4)18(16,17)13(7-3)11-12(14)6-2/h6-7H,5,8-11H2,1-4H3/b12-6+,13-7+
InChIKeyPZOPMGSTMOEXPO-PWHKKFIBSA-N
XLogP3.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dipentylethanesulfonamide
CID 3453334
bis(N,N-dimethylnonadecan-1-amine);sulfuric acid
CID 175167546
bis(N,N-dihexylhexan-1-amine);sulfuric acid
CID 71357248
N,N,N',N'-tetrahexylmethanedisulfonamide
CID 140586824
lithium N-butyl-N-methylsulfamate
CID 156663385
N-butyl-N-methylsulfamoyl chloride
CID 16770019
N,N-dihexylhexan-1-amine;sulfuric acid
CID 172853690
N,N-dimethylbutan-1-amine;methanesulfonic acid
CID 174158325
(Z)-N-methyl-N-[(Z)-octadec-9-enyl]octadec-9-en-1-amine;sulfuric acid
CID 121330534
dimethylsulfamic acid;heptadecane
CID 173271446
3-[methyl(pentyl)amino]propane-1-sulfonic acid
CID 90277670
N,N'-didodecyl-N,N'-dimethyl-3-oxopentanediamide
CID 164993773

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide?
The IUPAC name of (2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide (CID 143393015) is (2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide.
What is the SMILES notation for (2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide?
The canonical SMILES for (2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide is C/C=C(/F)C/C(=C\C)S(=O)(=O)N(C)CCCCC.
What is the InChIKey of (2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide?
The InChIKey is PZOPMGSTMOEXPO-PWHKKFIBSA-N. The full InChI is InChI=1S/C13H24FNO2S/c1-5-8-9-10-15(4)18(16,17)13(7-3)11-12(14)6-2/h6-7H,5,8-11H2,1-4H3/b12-6+,13-7+.
What are the key properties of (2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide?
(2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide has a molecular weight of 277.40 g/mol, XLogP of 3.61, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5E)-5-fluoro-N-methyl-N-pentylhepta-2,5-diene-3-sulfonamide is sourced from PubChem (CID 143393015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).