4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide

C19H24N2O2S — CID 52703798

IUPAC4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C)S(=O)(=O)c1ccc(NCc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2O2S/c1-5-12-21(4)24(22,23)19-10-8-18(9-11-19)20-14-17-13-15(2)6-7-16(17)3/h5-11,13,20H,1,12,14H2,2-4H3
InChIKeySWUPADLLLXCSFN-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.72
Rot. Bonds7

About 4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide

4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 52703798) has the molecular formula C19H24N2O2S and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID52703798
Molecular FormulaC19H24N2O2S
Molecular Weight344.48 g/mol
Exact Mass344.16
IUPAC Name4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(C)S(=O)(=O)c1ccc(NCc2cc(C)ccc2C)cc1
InChIInChI=1S/C19H24N2O2S/c1-5-12-21(4)24(22,23)19-10-8-18(9-11-19)20-14-17-13-15(2)6-7-16(17)3/h5-11,13,20H,1,12,14H2,2-4H3
InChIKeySWUPADLLLXCSFN-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dimethylphenyl)methyl]-4-ethylsulfonylaniline
CID 60711317
N-(4-methyl-2-nitrophenyl)-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide
CID 55898534
N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-[methyl(prop-2-enyl)sulfamoyl]anilino]acetamide
CID 60536570
4-[(2,5-dimethylphenyl)methylamino]-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
CID 10157602
1-[4-[(2,5-dimethylphenyl)methylamino]phenyl]ethanone
CID 83313035
N-[(2,5-dimethylphenyl)methyl]-3,5-dimethylaniline
CID 60685873
N-[(2,5-dimethylphenyl)methyl]-4-propylaniline
CID 55198828
4-methyl-2-[(4-methylsulfonylanilino)methyl]phenol
CID 63323424
1-[(2R)-1-hydroxypropan-2-yl]-3-[4-[methyl(prop-2-enyl)sulfamoyl]phenyl]urea
CID 94756092
N-[(2,5-dimethylphenyl)methyl]-4-(triazol-2-yl)aniline
CID 61062837
3-[(2,5-dimethylphenyl)methylamino]-N,N-dimethylbenzamide
CID 60728339
N-ethyl-4-(ethylamino)-N-methylbenzenesulfonamide
CID 62144614

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide (CID 52703798) is 4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(C)S(=O)(=O)c1ccc(NCc2cc(C)ccc2C)cc1.
What is the InChIKey of 4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is SWUPADLLLXCSFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2S/c1-5-12-21(4)24(22,23)19-10-8-18(9-11-19)20-14-17-13-15(2)6-7-16(17)3/h5-11,13,20H,1,12,14H2,2-4H3.
What are the key properties of 4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide?
4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 344.48 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylphenyl)methylamino]-N-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 52703798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).