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

C21H19Cl2N5O3S — CID 42317930

IUPAC2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H19Cl2N5O3S/c22-15-1-6-18(19(23)13-15)21(29)26-16-2-4-17(5-3-16)32(30,31)28-11-9-27(10-12-28)20-14-24-7-8-25-20/h1-8,13-14H,9-12H2,(H,26,29)
InChIKeyOJOVGQJYGPKFKR-UHFFFAOYSA-N
MW492.39 g/mol
LogP3.55
Rot. Bonds5

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

2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide (PubChem CID 42317930) has the molecular formula C21H19Cl2N5O3S and a molecular weight of 492.39 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
PubChem CID42317930
Molecular FormulaC21H19Cl2N5O3S
Molecular Weight492.39 g/mol
Exact Mass491.06
IUPAC Name2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H19Cl2N5O3S/c22-15-1-6-18(19(23)13-15)21(29)26-16-2-4-17(5-3-16)32(30,31)28-11-9-27(10-12-28)20-14-24-7-8-25-20/h1-8,13-14H,9-12H2,(H,26,29)
InChIKeyOJOVGQJYGPKFKR-UHFFFAOYSA-N
XLogP3.55
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-fluoro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317902
2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317830
N-[4-(azepan-1-ylsulfonyl)phenyl]-2,4-dichlorobenzamide
CID 1010211
3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317857
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide
CID 42317966
2-(difluoromethylsulfanyl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42318251
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 42317786
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678
2-phenyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318039
2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 42317806
2-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317816
2,5-dichloro-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 3387472

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide (CID 42317930) is 2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
The InChIKey is OJOVGQJYGPKFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O3S/c22-15-1-6-18(19(23)13-15)21(29)26-16-2-4-17(5-3-16)32(30,31)28-11-9-27(10-12-28)20-14-24-7-8-25-20/h1-8,13-14H,9-12H2,(H,26,29).
What are the key properties of 2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide?
2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide has a molecular weight of 492.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide is sourced from PubChem (CID 42317930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).