N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide

C23H27N5O2S — CID 163248582

IUPACN-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide
SMILESCc1cccc(C)c1-c1cnc(N2CCN(C)CC2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C23H27N5O2S/c1-17-8-7-9-18(2)21(17)20-16-24-23(28-14-12-27(3)13-15-28)22(25-20)26-31(29,30)19-10-5-4-6-11-19/h4-11,16H,12-15H2,1-3H3,(H,25,26)
InChIKeyUXSIZTJYBBHWNN-UHFFFAOYSA-N
MW437.57 g/mol
LogP3.31
Rot. Bonds5

About N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide

N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide (PubChem CID 163248582) has the molecular formula C23H27N5O2S and a molecular weight of 437.57 g/mol. Its IUPAC name is N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide
PubChem CID163248582
Molecular FormulaC23H27N5O2S
Molecular Weight437.57 g/mol
Exact Mass437.19
IUPAC NameN-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide
SMILESCc1cccc(C)c1-c1cnc(N2CCN(C)CC2)c(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C23H27N5O2S/c1-17-8-7-9-18(2)21(17)20-16-24-23(28-14-12-27(3)13-15-28)22(25-20)26-31(29,30)19-10-5-4-6-11-19/h4-11,16H,12-15H2,1-3H3,(H,25,26)
InChIKeyUXSIZTJYBBHWNN-UHFFFAOYSA-N
XLogP3.31
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-piperazin-1-ylpyrazin-2-yl)benzenesulfonamide
CID 142692187
N-[3-(4-ethylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 7392711
1-methyl-4-(3-methyl-2-pyridinyl)piperazine
CID 46739573
N-[4-[3,5-dichloro-4-(4-methylpiperazin-1-yl)phenoxy]-6-(2,6-dimethylphenyl)pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163247498
2-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025926
N-[4-(2,6-dimethylphenyl)-6-[2-fluoro-3-(4-methylpiperazin-1-yl)phenoxy]pyrimidin-2-yl]-1-methylpyrazole-4-sulfonamide
CID 163248130
N-[6-(2,6-dichlorophenyl)-2-[3-(4-methylpiperazin-1-yl)propylamino]pyrido[2,3-d]pyrimidin-7-yl]benzenesulfonamide
CID 5328181
4-bromo-N-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 25037574
2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide
CID 155549386
N-[3-(3-methylpiperidin-1-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4599321
5-(benzenesulfonamido)-2-(4-methylpiperazin-1-yl)benzoic acid
CID 50766128
N-[3-(2,6-dimethylmorpholin-4-yl)quinoxalin-2-yl]benzenesulfonamide
CID 4106272

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide (CID 163248582) is N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide is Cc1cccc(C)c1-c1cnc(N2CCN(C)CC2)c(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide?
The InChIKey is UXSIZTJYBBHWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2S/c1-17-8-7-9-18(2)21(17)20-16-24-23(28-14-12-27(3)13-15-28)22(25-20)26-31(29,30)19-10-5-4-6-11-19/h4-11,16H,12-15H2,1-3H3,(H,25,26).
What are the key properties of N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide?
N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide has a molecular weight of 437.57 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylphenyl)-3-(4-methylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 163248582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).