4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

C18H24N4O2S — CID 16812324

IUPAC4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-16-5-7-17(8-6-16)25(23,24)20-10-11-21-12-14-22(15-13-21)18-4-2-3-9-19-18/h2-9,20H,10-15H2,1H3
InChIKeyBUZRGMLBOFTXGN-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.49
Rot. Bonds6

About 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide

4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 16812324) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID16812324
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-16-5-7-17(8-6-16)25(23,24)20-10-11-21-12-14-22(15-13-21)18-4-2-3-9-19-18/h2-9,20H,10-15H2,1H3
InChIKeyBUZRGMLBOFTXGN-UHFFFAOYSA-N
XLogP1.49
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[[(2R,4S,5S)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]benzenesulfonamide
CID 28991182
4-methyl-N-[2-[4-[2-[(4-phenylmethoxyphenyl)sulfonylamino]ethyl]piperazin-1-yl]ethyl]benzenesulfonamide
CID 70906019
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzenesulfonamide
CID 121112921
1-[2-(2,5-dimethylphenyl)sulfonylethyl]-4-pyridin-2-ylpiperazine
CID 17406413
N-[2-(4-benzoylpiperazin-1-yl)ethyl]-4-methylbenzenesulfonamide
CID 86768049
N-[2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 167960205
N-(4-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 109030344
N-[2-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 167898519
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]aniline
CID 60860602
N-[2-[3,9-bis-(4-methylphenyl)sulfonyl-3,6,9,15-tetrazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-6-yl]ethyl]-4-methylbenzenesulfonamide
CID 71652391
N-(4-methylphenyl)-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 4118105
N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]butan-2-amine
CID 55024348

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 16812324) is 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCN2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is BUZRGMLBOFTXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-16-5-7-17(8-6-16)25(23,24)20-10-11-21-12-14-22(15-13-21)18-4-2-3-9-19-18/h2-9,20H,10-15H2,1H3.
What are the key properties of 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide?
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16812324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).