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

C18H23N3O2S — CID 2738589

IUPACN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCN1CCN(c2ccc(CNS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C18H23N3O2S/c1-20-11-13-21(14-12-20)17-9-7-16(8-10-17)15-19-24(22,23)18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3
InChIKeyZFPAMTORQIBFFX-UHFFFAOYSA-N
MW345.47 g/mol
LogP1.92
Rot. Bonds5

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

N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide (PubChem CID 2738589) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
PubChem CID2738589
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
SMILESCN1CCN(c2ccc(CNS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C18H23N3O2S/c1-20-11-13-21(14-12-20)17-9-7-16(8-10-17)15-19-24(22,23)18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3
InChIKeyZFPAMTORQIBFFX-UHFFFAOYSA-N
XLogP1.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 51.92
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 N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide (CID 2738589) is N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide is CN1CCN(c2ccc(CNS(=O)(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
The InChIKey is ZFPAMTORQIBFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-20-11-13-21(14-12-20)17-9-7-16(8-10-17)15-19-24(22,23)18-5-3-2-4-6-18/h2-10,19H,11-15H2,1H3.
What are the key properties of N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide?
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide has a molecular weight of 345.47 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 2738589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).