4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide

C25H30N4O3S — CID 3236374

IUPAC4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C25H30N4O3S/c1-20-17-23(10-11-25(20)32-2)33(30,31)27-19-24(21-7-6-12-26-18-21)29-15-13-28(14-16-29)22-8-4-3-5-9-22/h3-12,17-18,24,27H,13-16,19H2,1-2H3
InChIKeyNPUBFXAOOHMWCB-UHFFFAOYSA-N
MW466.61 g/mol
LogP3.24
Rot. Bonds8

About 4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide

4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (PubChem CID 3236374) has the molecular formula C25H30N4O3S and a molecular weight of 466.61 g/mol. Its IUPAC name is 4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
PubChem CID3236374
Molecular FormulaC25H30N4O3S
Molecular Weight466.61 g/mol
Exact Mass466.20
IUPAC Name4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C25H30N4O3S/c1-20-17-23(10-11-25(20)32-2)33(30,31)27-19-24(21-7-6-12-26-18-21)29-15-13-28(14-16-29)22-8-4-3-5-9-22/h3-12,17-18,24,27H,13-16,19H2,1-2H3
InChIKeyNPUBFXAOOHMWCB-UHFFFAOYSA-N
XLogP3.24
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.61
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide (CID 3236374) is 4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1C.
What is the InChIKey of 4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
The InChIKey is NPUBFXAOOHMWCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3S/c1-20-17-23(10-11-25(20)32-2)33(30,31)27-19-24(21-7-6-12-26-18-21)29-15-13-28(14-16-29)22-8-4-3-5-9-22/h3-12,17-18,24,27H,13-16,19H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide?
4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide has a molecular weight of 466.61 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 3236374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).