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

C19H25N3O2S — CID 2738590

IUPAC2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-16-5-3-4-6-19(16)25(23,24)20-15-17-7-9-18(10-8-17)22-13-11-21(2)12-14-22/h3-10,20H,11-15H2,1-2H3
InChIKeyHKHDOOSYMGOTMH-UHFFFAOYSA-N
MW359.50 g/mol
LogP2.23
Rot. Bonds5

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

2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 2738590) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID2738590
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-16-5-3-4-6-19(16)25(23,24)20-15-17-7-9-18(10-8-17)22-13-11-21(2)12-14-22/h3-10,20H,11-15H2,1-2H3
InChIKeyHKHDOOSYMGOTMH-UHFFFAOYSA-N
XLogP2.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide (CID 2738590) is 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCc1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is HKHDOOSYMGOTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-16-5-3-4-6-19(16)25(23,24)20-15-17-7-9-18(10-8-17)22-13-11-21(2)12-14-22/h3-10,20H,11-15H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 359.50 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 2738590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).