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

C25H33N5O2S — CID 58561193

IUPACN-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(-c2cccc(CN3CCN(C)CC3)c2)cc1
InChIInChI=1S/C25H33N5O2S/c1-19-25(20(2)28(4)26-19)29(5)33(31,32)24-11-9-22(10-12-24)23-8-6-7-21(17-23)18-30-15-13-27(3)14-16-30/h6-12,17H,13-16,18H2,1-5H3
InChIKeyJQFOPXWJVQBOHK-UHFFFAOYSA-N
MW467.64 g/mol
LogP3.28
Rot. Bonds6

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

N-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561193) has the molecular formula C25H33N5O2S and a molecular weight of 467.64 g/mol. Its IUPAC name is N-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561193
Molecular FormulaC25H33N5O2S
Molecular Weight467.64 g/mol
Exact Mass467.24
IUPAC NameN-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(-c2cccc(CN3CCN(C)CC3)c2)cc1
InChIInChI=1S/C25H33N5O2S/c1-19-25(20(2)28(4)26-19)29(5)33(31,32)24-11-9-22(10-12-24)23-8-6-7-21(17-23)18-30-15-13-27(3)14-16-30/h6-12,17H,13-16,18H2,1-5H3
InChIKeyJQFOPXWJVQBOHK-UHFFFAOYSA-N
XLogP3.28
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.64
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-Dichloro-3'-[(Diethylamino)methyl]-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)biphenyl-4-Sulfonamide
CID 54669606
3,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 8124894
2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 16377462
US9156811, Ddd88558
CID 57402327
US9156811, Ddd86212
CID 58561096
US9156811, Ddd90023
CID 58561235
US9156811, Ddd99760
CID 58561256
US9156811, Ddd88191
CID 58561258
US9156811, Ddd99758
CID 58561292
US9156811, Ddd88559
CID 58561335
US9156811, Ddd99830
CID 117905351
1,3,5-Trimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-YL)ethyl]-N-[4-(propan-2-YL)phenyl]-1H-pyrazole-4-sulfonamide
CID 16009277

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561193) is N-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(-c2cccc(CN3CCN(C)CC3)c2)cc1.
What is the InChIKey of N-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is JQFOPXWJVQBOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2S/c1-19-25(20(2)28(4)26-19)29(5)33(31,32)24-11-9-22(10-12-24)23-8-6-7-21(17-23)18-30-15-13-27(3)14-16-30/h6-12,17H,13-16,18H2,1-5H3.
What are the key properties of N-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
N-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 467.64 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).