N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide

C13H19NO2S — CID 114616423

IUPACN-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(CCC)cc1
InChIInChI=1S/C13H19NO2S/c1-4-5-12-6-8-13(9-7-12)17(15,16)14-10-11(2)3/h6-9,14H,2,4-5,10H2,1,3H3
InChIKeyHAZYCSTWEHAJMY-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.49
Rot. Bonds6

About N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide

N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide (PubChem CID 114616423) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide
PubChem CID114616423
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC NameN-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1ccc(CCC)cc1
InChIInChI=1S/C13H19NO2S/c1-4-5-12-6-8-13(9-7-12)17(15,16)14-10-11(2)3/h6-9,14H,2,4-5,10H2,1,3H3
InChIKeyHAZYCSTWEHAJMY-UHFFFAOYSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-propylphenyl)sulfonylamino]ethanethioamide
CID 61127492
4-bromo-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616540
4-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616524
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-iodo-4-propylbenzenesulfonamide
CID 143564822
N-[4-[(4-propylphenyl)methylsulfamoyl]phenyl]acetamide
CID 110780438
N-(2-ethylbutyl)-4-propylbenzenesulfonamide
CID 115613302
N-(2-hydroxy-2-methylbutyl)-4-propylbenzenesulfonamide
CID 65112900
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
N-(2-cyanopropan-2-yl)-4-propylbenzenesulfonamide
CID 61126681
4-butyl-N-prop-2-enylbenzenesulfonamide
CID 6470991

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide?
The IUPAC name of N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide (CID 114616423) is N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide is C=C(C)CNS(=O)(=O)c1ccc(CCC)cc1.
What is the InChIKey of N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide?
The InChIKey is HAZYCSTWEHAJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-4-5-12-6-8-13(9-7-12)17(15,16)14-10-11(2)3/h6-9,14H,2,4-5,10H2,1,3H3.
What are the key properties of N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide?
N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide is sourced from PubChem (CID 114616423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).