3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide

C23H25N5O3S — CID 42317857

IUPAC3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4cnccn4)CC3)cc2)cc1C
InChIInChI=1S/C23H25N5O3S/c1-17-3-4-19(15-18(17)2)23(29)26-20-5-7-21(8-6-20)32(30,31)28-13-11-27(12-14-28)22-16-24-9-10-25-22/h3-10,15-16H,11-14H2,1-2H3,(H,26,29)
InChIKeyZXTCWBVUQBBVFE-UHFFFAOYSA-N
MW451.55 g/mol
LogP2.86
Rot. Bonds5

About 3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide

3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide (PubChem CID 42317857) has the molecular formula C23H25N5O3S and a molecular weight of 451.55 g/mol. Its IUPAC name is 3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
PubChem CID42317857
Molecular FormulaC23H25N5O3S
Molecular Weight451.55 g/mol
Exact Mass451.17
IUPAC Name3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4cnccn4)CC3)cc2)cc1C
InChIInChI=1S/C23H25N5O3S/c1-17-3-4-19(15-18(17)2)23(29)26-20-5-7-21(8-6-20)32(30,31)28-13-11-27(12-14-28)22-16-24-9-10-25-22/h3-10,15-16H,11-14H2,1-2H3,(H,26,29)
InChIKeyZXTCWBVUQBBVFE-UHFFFAOYSA-N
XLogP2.86
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide
CID 42317966
2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317830
2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317930
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 42317786
2-fluoro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317902
2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 42317806
3-iodo-4-methyl-N-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 163888268
2-phenyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318039
2-(difluoromethylsulfanyl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42318251
2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318009
2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317816
2-(4-ethoxyphenyl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318049

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide (CID 42317857) is 3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(c4cnccn4)CC3)cc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is ZXTCWBVUQBBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3S/c1-17-3-4-19(15-18(17)2)23(29)26-20-5-7-21(8-6-20)32(30,31)28-13-11-27(12-14-28)22-16-24-9-10-25-22/h3-10,15-16H,11-14H2,1-2H3,(H,26,29).
What are the key properties of 3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 451.55 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 42317857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).