N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide

C18H23NO2S — CID 46210780

IUPACN,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
SMILESCCC(c1ccc(C)cc1)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H23NO2S/c1-5-18(16-10-6-14(2)7-11-16)19(4)22(20,21)17-12-8-15(3)9-13-17/h6-13,18H,5H2,1-4H3
InChIKeyJKAFKRYRBAMGAC-UHFFFAOYSA-N
MW317.45 g/mol
LogP4.08
Rot. Bonds5

About N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide

N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide (PubChem CID 46210780) has the molecular formula C18H23NO2S and a molecular weight of 317.45 g/mol. Its IUPAC name is N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
PubChem CID46210780
Molecular FormulaC18H23NO2S
Molecular Weight317.45 g/mol
Exact Mass317.14
IUPAC NameN,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide
SMILESCCC(c1ccc(C)cc1)N(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H23NO2S/c1-5-18(16-10-6-14(2)7-11-16)19(4)22(20,21)17-12-8-15(3)9-13-17/h6-13,18H,5H2,1-4H3
InChIKeyJKAFKRYRBAMGAC-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide 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

N-[(E)-1,5-diphenylpent-4-enyl]-N,4-dimethylbenzenesulfonamide
CID 177370389
N,4-dimethyl-N-[(2S)-4-oxopentan-2-yl]benzenesulfonamide
CID 11391555
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43570487
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-ylbenzenesulfonamide
CID 43506894
(2S)-3-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]butanoic acid
CID 14236032
4-[butan-2-yl(methyl)sulfamoyl]benzenesulfonyl chloride
CID 43273019
2-[methyl-(4-methylphenyl)sulfonylamino]-4-sulfanylbutanoic acid
CID 22216999
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 45003216
N,4-dimethyl-N-(2-methyl-1-phenyloctyl)benzenesulfonamide
CID 102421341
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
N-(3-hydroxy-1-phenylpropyl)-N-methylbenzenesulfonamide
CID 69444505
N-(2-aminoethyl)-4-methyl-N-pentan-3-ylbenzenesulfonamide
CID 63764894

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide (CID 46210780) is N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide is CCC(c1ccc(C)cc1)N(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
The InChIKey is JKAFKRYRBAMGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2S/c1-5-18(16-10-6-14(2)7-11-16)19(4)22(20,21)17-12-8-15(3)9-13-17/h6-13,18H,5H2,1-4H3.
What are the key properties of N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide?
N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide has a molecular weight of 317.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-[1-(4-methylphenyl)propyl]benzenesulfonamide is sourced from PubChem (CID 46210780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).