N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide

C19H26N2O2S — CID 110446606

IUPACN-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN(C)Cc2ccccc2)cc1C
InChIInChI=1S/C19H26N2O2S/c1-16-10-11-19(14-17(16)2)24(22,23)20-12-7-13-21(3)15-18-8-5-4-6-9-18/h4-6,8-11,14,20H,7,12-13,15H2,1-3H3
InChIKeyXWHYMZBQXJYECH-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.10
Rot. Bonds8

About N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide

N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide (PubChem CID 110446606) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide
PubChem CID110446606
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCCN(C)Cc2ccccc2)cc1C
InChIInChI=1S/C19H26N2O2S/c1-16-10-11-19(14-17(16)2)24(22,23)20-12-7-13-21(3)15-18-8-5-4-6-9-18/h4-6,8-11,14,20H,7,12-13,15H2,1-3H3
InChIKeyXWHYMZBQXJYECH-UHFFFAOYSA-N
XLogP3.10
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-3,5-difluorobenzenesulfonamide
CID 47015302
4-acetyl-N-[3-[benzyl(methyl)amino]propyl]benzenesulfonamide
CID 51249681
N-[3-[3-(benzenesulfonamido)propyl-methylamino]propyl]benzenesulfonamide
CID 58729767
N-[3-[benzyl(methyl)amino]propyl]-5-cyano-2-methylbenzenesulfonamide
CID 113236088
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[3-[benzyl(methyl)amino]propyl]-2,4-difluorobenzenesulfonamide
CID 47013259
4-amino-N-[3-[benzyl(methyl)amino]propyl]-2,6-dibromobenzenesulfonamide
CID 113222920
N-[3-[3-(benzenesulfonamido)propyl-benzylamino]propyl]benzenesulfonamide
CID 11584206
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 2-[(3,4-dimethylphenyl)sulfonylamino]acetate
CID 7234512
2-amino-N-[3-[benzyl(methyl)amino]propyl]-4,6-dibromobenzenesulfonamide
CID 113222919
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclobutanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 20853285
N-(3-methoxypropyl)-3,4-dimethylbenzenesulfonamide
CID 2095776

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide (CID 110446606) is N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NCCCN(C)Cc2ccccc2)cc1C.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide?
The InChIKey is XWHYMZBQXJYECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-16-10-11-19(14-17(16)2)24(22,23)20-12-7-13-21(3)15-18-8-5-4-6-9-18/h4-6,8-11,14,20H,7,12-13,15H2,1-3H3.
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide?
N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide has a molecular weight of 346.50 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 110446606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).