2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide

C25H25N5O4S2 — CID 155549386

IUPAC2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1nccnc1N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H25N5O4S2/c1-19-7-2-5-11-22(19)35(31,32)28-24-25(27-14-13-26-24)29-15-17-30(18-16-29)36(33,34)23-12-6-9-20-8-3-4-10-21(20)23/h2-14H,15-18H2,1H3,(H,26,28)
InChIKeyZAZPAMMPHQPBOC-UHFFFAOYSA-N
MW523.64 g/mol
LogP3.25
Rot. Bonds6

About 2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide

2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide (PubChem CID 155549386) has the molecular formula C25H25N5O4S2 and a molecular weight of 523.64 g/mol. Its IUPAC name is 2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide
PubChem CID155549386
Molecular FormulaC25H25N5O4S2
Molecular Weight523.64 g/mol
Exact Mass523.13
IUPAC Name2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1nccnc1N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C25H25N5O4S2/c1-19-7-2-5-11-22(19)35(31,32)28-24-25(27-14-13-26-24)29-15-17-30(18-16-29)36(33,34)23-12-6-9-20-8-3-4-10-21(20)23/h2-14H,15-18H2,1H3,(H,26,28)
InChIKeyZAZPAMMPHQPBOC-UHFFFAOYSA-N
XLogP3.25
TPSA112.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.64
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]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 2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide (CID 155549386) is 2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1nccnc1N1CCN(S(=O)(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is ZAZPAMMPHQPBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S2/c1-19-7-2-5-11-22(19)35(31,32)28-24-25(27-14-13-26-24)29-15-17-30(18-16-29)36(33,34)23-12-6-9-20-8-3-4-10-21(20)23/h2-14H,15-18H2,1H3,(H,26,28).
What are the key properties of 2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide?
2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 523.64 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 155549386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).