2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide

C16H21N5O2S — CID 69189905

IUPAC2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide
SMILESCc1cc(CN2CCN(c3ncccn3)CC2)ccc1S(N)(=O)=O
InChIInChI=1S/C16H21N5O2S/c1-13-11-14(3-4-15(13)24(17,22)23)12-20-7-9-21(10-8-20)16-18-5-2-6-19-16/h2-6,11H,7-10,12H2,1H3,(H2,17,22,23)
InChIKeyUVURKNXRHVKICX-UHFFFAOYSA-N
MW347.44 g/mol
LogP0.75
Rot. Bonds4

About 2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide

2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide (PubChem CID 69189905) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide
PubChem CID69189905
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide
SMILESCc1cc(CN2CCN(c3ncccn3)CC2)ccc1S(N)(=O)=O
InChIInChI=1S/C16H21N5O2S/c1-13-11-14(3-4-15(13)24(17,22)23)12-20-7-9-21(10-8-20)16-18-5-2-6-19-16/h2-6,11H,7-10,12H2,1H3,(H2,17,22,23)
InChIKeyUVURKNXRHVKICX-UHFFFAOYSA-N
XLogP0.75
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 3756796
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-pyridin-2-one
CID 53191798
2,6-ditert-butyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 2837847
bis(2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol);hydrate;tetrahydrochloride
CID 23618065
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;chloride;hydrate
CID 45114229
N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide
CID 11702585
3-ethyl-7-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 59474843
N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]formamide
CID 18423066
2-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperazin-1-yl]pyrimidine
CID 165340663
2-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline
CID 43509117
2-[4-(2-bromo-4-methylphenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 52567580
2-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]-4-methylpyrimidine
CID 154580839

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide?
The IUPAC name of 2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide (CID 69189905) is 2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide?
The canonical SMILES for 2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide is Cc1cc(CN2CCN(c3ncccn3)CC2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide?
The InChIKey is UVURKNXRHVKICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-13-11-14(3-4-15(13)24(17,22)23)12-20-7-9-21(10-8-20)16-18-5-2-6-19-16/h2-6,11H,7-10,12H2,1H3,(H2,17,22,23).
What are the key properties of 2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide?
2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide has a molecular weight of 347.44 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 69189905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).