4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide

C24H24N6O3S — CID 59466305

IUPAC4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1
InChIInChI=1S/C24H24N6O3S/c31-24(15-18-16-26-22-4-2-1-3-21(18)22)30-13-11-29(12-14-30)19-5-7-20(8-6-19)34(32,33)28-23-9-10-25-17-27-23/h1-10,16-17,26H,11-15H2,(H,25,27,28)
InChIKeyNJTCLWFOKSZDSC-UHFFFAOYSA-N
MW476.56 g/mol
LogP2.65
Rot. Bonds6

About 4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide

4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide (PubChem CID 59466305) has the molecular formula C24H24N6O3S and a molecular weight of 476.56 g/mol. Its IUPAC name is 4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
PubChem CID59466305
Molecular FormulaC24H24N6O3S
Molecular Weight476.56 g/mol
Exact Mass476.16
IUPAC Name4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide
SMILESO=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1
InChIInChI=1S/C24H24N6O3S/c31-24(15-18-16-26-22-4-2-1-3-21(18)22)30-13-11-29(12-14-30)19-5-7-20(8-6-19)34(32,33)28-23-9-10-25-17-27-23/h1-10,16-17,26H,11-15H2,(H,25,27,28)
InChIKeyNJTCLWFOKSZDSC-UHFFFAOYSA-N
XLogP2.65
TPSA111.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The IUPAC name of 4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide (CID 59466305) is 4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide is O=C(Cc1c[nH]c2ccccc12)N1CCN(c2ccc(S(=O)(=O)Nc3ccncn3)cc2)CC1.
What is the InChIKey of 4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
The InChIKey is NJTCLWFOKSZDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3S/c31-24(15-18-16-26-22-4-2-1-3-21(18)22)30-13-11-29(12-14-30)19-5-7-20(8-6-19)34(32,33)28-23-9-10-25-17-27-23/h1-10,16-17,26H,11-15H2,(H,25,27,28).
What are the key properties of 4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide?
4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide has a molecular weight of 476.56 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]-N-pyrimidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 59466305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).