N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide

C19H26N4O2S — CID 56867332

IUPACN-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CN2CCN(Cc3ncccc3C)CC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-16-4-3-9-21-19(16)15-23-12-10-22(11-13-23)14-17-5-7-18(8-6-17)26(24,25)20-2/h3-9,20H,10-15H2,1-2H3
InChIKeyGSJFXWGNGDFCQR-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.62
Rot. Bonds6

About N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide

N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide (PubChem CID 56867332) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide
PubChem CID56867332
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(CN2CCN(Cc3ncccc3C)CC2)cc1
InChIInChI=1S/C19H26N4O2S/c1-16-4-3-9-21-19(16)15-23-12-10-22(11-13-23)14-17-5-7-18(8-6-17)26(24,25)20-2/h3-9,20H,10-15H2,1-2H3
InChIKeyGSJFXWGNGDFCQR-UHFFFAOYSA-N
XLogP1.62
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide?
The IUPAC name of N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide (CID 56867332) is N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide is CNS(=O)(=O)c1ccc(CN2CCN(Cc3ncccc3C)CC2)cc1.
What is the InChIKey of N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide?
The InChIKey is GSJFXWGNGDFCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-16-4-3-9-21-19(16)15-23-12-10-22(11-13-23)14-17-5-7-18(8-6-17)26(24,25)20-2/h3-9,20H,10-15H2,1-2H3.
What are the key properties of N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide?
N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 56867332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).