N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide

C13H20N2O2S — CID 113465748

IUPACN-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
SMILESC/C=C/CCNc1ccccc1S(=O)(=O)NCC
InChIInChI=1S/C13H20N2O2S/c1-3-5-8-11-14-12-9-6-7-10-13(12)18(16,17)15-4-2/h3,5-7,9-10,14-15H,4,8,11H2,1-2H3/b5-3+
InChIKeySWBBVKWLLZYCPB-HWKANZROSA-N
MW268.38 g/mol
LogP2.36
Rot. Bonds7

About N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide

N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide (PubChem CID 113465748) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
PubChem CID113465748
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide
SMILESC/C=C/CCNc1ccccc1S(=O)(=O)NCC
InChIInChI=1S/C13H20N2O2S/c1-3-5-8-11-14-12-9-6-7-10-13(12)18(16,17)15-4-2/h3,5-7,9-10,14-15H,4,8,11H2,1-2H3/b5-3+
InChIKeySWBBVKWLLZYCPB-HWKANZROSA-N
XLogP2.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-[3-(ethylamino)propylamino]benzenesulfonamide
CID 54907058
N-ethyl-2-(4-methylpentylamino)benzenesulfonamide
CID 54913733
2-N-[(E)-pent-3-enyl]benzene-1,2-disulfonamide
CID 113465908
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
N-ethyl-2-(2-pyrrolidin-1-ylethylamino)benzenesulfonamide
CID 62640898
N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
N-ethyl-2-(2-hydroxypropylamino)benzenesulfonamide
CID 43500232
3-chloro-N-[2-(ethylsulfamoyl)phenyl]propanamide
CID 43699275
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
2-[2-(cyclohexen-1-yl)ethylamino]-N-ethylbenzenesulfonamide
CID 61147344
N-[2-(ethylsulfamoyl)phenyl]-5-hydroxypentanamide
CID 79198757

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide?
The IUPAC name of N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide (CID 113465748) is N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide?
The canonical SMILES for N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide is C/C=C/CCNc1ccccc1S(=O)(=O)NCC.
What is the InChIKey of N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide?
The InChIKey is SWBBVKWLLZYCPB-HWKANZROSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-5-8-11-14-12-9-6-7-10-13(12)18(16,17)15-4-2/h3,5-7,9-10,14-15H,4,8,11H2,1-2H3/b5-3+.
What are the key properties of N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide?
N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[(E)-pent-3-enyl]amino]benzenesulfonamide is sourced from PubChem (CID 113465748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).