4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide

C13H20N2O2S — CID 115898648

IUPAC4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide
SMILESC=CCC(C)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O2S/c1-4-5-10(2)15-11(3)12-6-8-13(9-7-12)18(14,16)17/h4,6-11,15H,1,5H2,2-3H3,(H2,14,16,17)
InChIKeyJOHHXUOFYFBFHR-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.95
Rot. Bonds6

About 4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide

4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide (PubChem CID 115898648) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide
PubChem CID115898648
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide
SMILESC=CCC(C)NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C13H20N2O2S/c1-4-5-10(2)15-11(3)12-6-8-13(9-7-12)18(14,16)17/h4,6-11,15H,1,5H2,2-3H3,(H2,14,16,17)
InChIKeyJOHHXUOFYFBFHR-UHFFFAOYSA-N
XLogP1.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(1-methoxypropan-2-ylamino)ethyl]benzenesulfonamide
CID 43758356
N-[1-(4-chlorophenyl)ethyl]pent-4-en-2-amine
CID 115632133
4-[1-[[(2S)-1-hydroxybutan-2-yl]amino]ethyl]benzenesulfonamide
CID 104980890
4-[1-(sulfamoylamino)ethyl]benzenesulfonamide
CID 112684101
4-[1-[1-(1H-pyrazol-5-yl)ethylamino]ethyl]benzenesulfonamide
CID 60972429
4-[1-(3-aminopropylamino)ethyl]benzenesulfonamide
CID 60890115
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
potassium 4-propan-2-ylbenzenesulfonamide
CID 19095755
4-[1-(difluoromethylsulfonylamino)ethyl]benzenesulfonamide
CID 43134164
3-[1-(1-methylsulfonylpropan-2-ylamino)ethyl]benzenesulfonamide
CID 64629789
4-[1-[2-(tert-butylamino)ethylamino]ethyl]benzenesulfonamide
CID 107444925
4-[1-(2-methylpropylsulfamoylamino)ethyl]benzenesulfonamide
CID 114816628

Frequently Asked Questions

What is the IUPAC name of 4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide (CID 115898648) is 4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide is C=CCC(C)NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide?
The InChIKey is JOHHXUOFYFBFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-4-5-10(2)15-11(3)12-6-8-13(9-7-12)18(14,16)17/h4,6-11,15H,1,5H2,2-3H3,(H2,14,16,17).
What are the key properties of 4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide?
4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(pent-4-en-2-ylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 115898648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).