4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

C21H29N3O2S — CID 16810757

IUPAC4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2ccc(C)cc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H29N3O2S/c1-17-4-8-19(9-5-17)21(24-14-12-23(3)13-15-24)16-22-27(25,26)20-10-6-18(2)7-11-20/h4-11,21-22H,12-16H2,1-3H3
InChIKeyRRODNASSWFFFAW-UHFFFAOYSA-N
MW387.55 g/mol
LogP2.57
Rot. Bonds6

About 4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide

4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 16810757) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID16810757
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(C(CNS(=O)(=O)c2ccc(C)cc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H29N3O2S/c1-17-4-8-19(9-5-17)21(24-14-12-23(3)13-15-24)16-22-27(25,26)20-10-6-18(2)7-11-20/h4-11,21-22H,12-16H2,1-3H3
InChIKeyRRODNASSWFFFAW-UHFFFAOYSA-N
XLogP2.57
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 16810757) is 4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is Cc1ccc(C(CNS(=O)(=O)c2ccc(C)cc2)N2CCN(C)CC2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is RRODNASSWFFFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-17-4-8-19(9-5-17)21(24-14-12-23(3)13-15-24)16-22-27(25,26)20-10-6-18(2)7-11-20/h4-11,21-22H,12-16H2,1-3H3.
What are the key properties of 4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide?
4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 387.55 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16810757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).