2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide

C16H18ClN5O3S — CID 42317830

IUPAC2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESO=C(CCl)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C16H18ClN5O3S/c17-11-16(23)20-13-1-3-14(4-2-13)26(24,25)22-9-7-21(8-10-22)15-12-18-5-6-19-15/h1-6,12H,7-11H2,(H,20,23)
InChIKeyLGFSPJIDHCICGH-UHFFFAOYSA-N
MW395.87 g/mol
LogP1.16
Rot. Bonds5

About 2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide

2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide (PubChem CID 42317830) has the molecular formula C16H18ClN5O3S and a molecular weight of 395.87 g/mol. Its IUPAC name is 2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
PubChem CID42317830
Molecular FormulaC16H18ClN5O3S
Molecular Weight395.87 g/mol
Exact Mass395.08
IUPAC Name2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
SMILESO=C(CCl)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1
InChIInChI=1S/C16H18ClN5O3S/c17-11-16(23)20-13-1-3-14(4-2-13)26(24,25)22-9-7-21(8-10-22)15-12-18-5-6-19-15/h1-6,12H,7-11H2,(H,20,23)
InChIKeyLGFSPJIDHCICGH-UHFFFAOYSA-N
XLogP1.16
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.87
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 42317786
2-phenyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318039
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
2-propyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]pentanamide
CID 42317806
2-(2-methoxyphenoxy)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318009
2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317930
3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317857
2-fluoro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317902
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
2-[4-(3-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]pyrazine
CID 23762678

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide (CID 42317830) is 2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide is O=C(CCl)Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1.
What is the InChIKey of 2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is LGFSPJIDHCICGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O3S/c17-11-16(23)20-13-1-3-14(4-2-13)26(24,25)22-9-7-21(8-10-22)15-12-18-5-6-19-15/h1-6,12H,7-11H2,(H,20,23).
What are the key properties of 2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide?
2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 395.87 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 42317830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).