6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

C24H33N7O2S — CID 57398844

IUPAC6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C24H33N7O2S/c1-19-24(20(2)29(3)27-19)28-34(32,33)22-9-10-23(26-17-22)25-11-12-30-13-15-31(16-14-30)18-21-7-5-4-6-8-21/h4-10,17,28H,11-16,18H2,1-3H3,(H,25,26)
InChIKeyKQEWNJJXOMIHRI-UHFFFAOYSA-N
MW483.64 g/mol
LogP2.46
Rot. Bonds9

About 6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide

6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (PubChem CID 57398844) has the molecular formula C24H33N7O2S and a molecular weight of 483.64 g/mol. Its IUPAC name is 6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
PubChem CID57398844
Molecular FormulaC24H33N7O2S
Molecular Weight483.64 g/mol
Exact Mass483.24
IUPAC Name6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCN(Cc3ccccc3)CC2)nc1
InChIInChI=1S/C24H33N7O2S/c1-19-24(20(2)29(3)27-19)28-34(32,33)22-9-10-23(26-17-22)25-11-12-30-13-15-31(16-14-30)18-21-7-5-4-6-8-21/h4-10,17,28H,11-16,18H2,1-3H3,(H,25,26)
InChIKeyKQEWNJJXOMIHRI-UHFFFAOYSA-N
XLogP2.46
TPSA95.39 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.64
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide (CID 57398844) is 6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCN2CCN(Cc3ccccc3)CC2)nc1.
What is the InChIKey of 6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
The InChIKey is KQEWNJJXOMIHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N7O2S/c1-19-24(20(2)29(3)27-19)28-34(32,33)22-9-10-23(26-17-22)25-11-12-30-13-15-31(16-14-30)18-21-7-5-4-6-8-21/h4-10,17,28H,11-16,18H2,1-3H3,(H,25,26).
What are the key properties of 6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide?
6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide has a molecular weight of 483.64 g/mol, XLogP of 2.46, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-benzylpiperazin-1-yl)ethylamino]-N-(1,3,5-trimethylpyrazol-4-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 57398844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).