N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide

C19H21NO3S — CID 132517238

IUPACN-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1/C=C/CO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-3-14-20(19-9-5-4-7-17(19)8-6-15-21)24(22,23)18-12-10-16(2)11-13-18/h3-13,21H,1,14-15H2,2H3/b8-6+
InChIKeyOVOWTHUVTXWFOW-SOFGYWHQSA-N
MW343.45 g/mol
LogP3.38
Rot. Bonds7

About N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide

N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 132517238) has the molecular formula C19H21NO3S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID132517238
Molecular FormulaC19H21NO3S
Molecular Weight343.45 g/mol
Exact Mass343.12
IUPAC NameN-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1/C=C/CO)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H21NO3S/c1-3-14-20(19-9-5-4-7-17(19)8-6-15-21)24(22,23)18-12-10-16(2)11-13-18/h3-13,21H,1,14-15H2,2H3/b8-6+
InChIKeyOVOWTHUVTXWFOW-SOFGYWHQSA-N
XLogP3.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E)-2-bromo-3-[2-[(4-methylphenyl)sulfonyl-prop-2-enylamino]phenyl]prop-2-enoate
CID 11705349
4-methyl-N-[2-[4-[(4-methylphenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]-N-prop-2-enylbenzenesulfonamide
CID 2801095
N-[2-[1-[tert-butyl(dimethyl)silyl]oxyethenyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 11212940
N-[2-[4-[(2-chlorophenyl)methylidene]-5-oxo-1,3-oxazol-2-yl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide
CID 2801093
4-methyl-N-[2-[[(4-methylphenyl)sulfonyl-(2-trimethylsilylethynyl)amino]methyl]phenyl]-N-prop-2-enylbenzenesulfonamide
CID 138978700
2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-pyridin-4-ylethenyl]anilino]acetic acid
CID 139894940
2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-prop-2-enylacetamide
CID 2271965
N-(4-methylphenyl)-N-prop-2-enylnaphthalene-2-sulfonamide
CID 100530275
N-(2-ethylphenyl)-4-methylsulfanyl-N-prop-2-enylbenzenesulfonamide
CID 100515606
N-ethyl-N-(2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 14196335
N-hydroxy-2-[N-(4-methylphenyl)sulfonyl-2-[(E)-2-(1-oxidopyridin-1-ium-4-yl)ethenyl]anilino]acetamide
CID 139894955
2-[[2-[(3-methylphenyl)sulfonyl-prop-2-enylamino]benzoyl]amino]acetate
CID 6977645

Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 132517238) is N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1/C=C/CO)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is OVOWTHUVTXWFOW-SOFGYWHQSA-N. The full InChI is InChI=1S/C19H21NO3S/c1-3-14-20(19-9-5-4-7-17(19)8-6-15-21)24(22,23)18-12-10-16(2)11-13-18/h3-13,21H,1,14-15H2,2H3/b8-6+.
What are the key properties of N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide?
N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-3-hydroxyprop-1-enyl]phenyl]-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 132517238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).