2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide

C23H33N3O2S — CID 52616778

IUPAC2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1C
InChIInChI=1S/C23H33N3O2S/c1-17-14-18(2)20(4)23(19(17)3)29(27,28)24-15-21-6-8-22(9-7-21)16-26-12-10-25(5)11-13-26/h6-9,14,24H,10-13,15-16H2,1-5H3
InChIKeyCNBRQCZFUAAGIT-UHFFFAOYSA-N
MW415.60 g/mol
LogP3.15
Rot. Bonds6

About 2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide

2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide (PubChem CID 52616778) has the molecular formula C23H33N3O2S and a molecular weight of 415.60 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
PubChem CID52616778
Molecular FormulaC23H33N3O2S
Molecular Weight415.60 g/mol
Exact Mass415.23
IUPAC Name2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1C
InChIInChI=1S/C23H33N3O2S/c1-17-14-18(2)20(4)23(19(17)3)29(27,28)24-15-21-6-8-22(9-7-21)16-26-12-10-25(5)11-13-26/h6-9,14,24H,10-13,15-16H2,1-5H3
InChIKeyCNBRQCZFUAAGIT-UHFFFAOYSA-N
XLogP3.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.60
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852335
dimethyl-[[4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]phenyl]methyl]azanium
CID 9191339
4-[[(2,3,5,6-tetramethylphenyl)sulfonylamino]methyl]benzoate
CID 4157565
N-[(3,5-dimethylphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 3350603
N-[(3,4-diethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 22206221
N-[(3,4-dimethoxyphenyl)methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 7938177
1-benzyl-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine;hydrochloride
CID 71903213
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperazine
CID 71214328
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 33487347
3,4-dimethyl-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]benzenesulfonamide
CID 110405209
N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 60530891
2,3,5,6-tetramethyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 55906508

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The IUPAC name of 2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide (CID 52616778) is 2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccc(CN3CCN(C)CC3)cc2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
The InChIKey is CNBRQCZFUAAGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2S/c1-17-14-18(2)20(4)23(19(17)3)29(27,28)24-15-21-6-8-22(9-7-21)16-26-12-10-25(5)11-13-26/h6-9,14,24H,10-13,15-16H2,1-5H3.
What are the key properties of 2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide?
2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide has a molecular weight of 415.60 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 52616778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).