N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide

C25H23N5O3S — CID 42317966

IUPACN-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H23N5O3S/c31-25(21-6-5-19-3-1-2-4-20(19)17-21)28-22-7-9-23(10-8-22)34(32,33)30-15-13-29(14-16-30)24-18-26-11-12-27-24/h1-12,17-18H,13-16H2,(H,28,31)
InChIKeySBTIROSVUVHLTF-UHFFFAOYSA-N
MW473.56 g/mol
LogP3.39
Rot. Bonds5

About N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide

N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide (PubChem CID 42317966) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide
PubChem CID42317966
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC NameN-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1)c1ccc2ccccc2c1
InChIInChI=1S/C25H23N5O3S/c31-25(21-6-5-19-3-1-2-4-20(19)17-21)28-22-7-9-23(10-8-22)34(32,33)30-15-13-29(14-16-30)24-18-26-11-12-27-24/h1-12,17-18H,13-16H2,(H,28,31)
InChIKeySBTIROSVUVHLTF-UHFFFAOYSA-N
XLogP3.39
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317857
2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)pyrazine
CID 18144515
2-fluoro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317902
2-phenyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42318039
2,4-dichloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42317930
2-(difluoromethylsulfanyl)-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]benzamide
CID 42318251
2-chloro-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317830
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]butanamide
CID 42317786
N-naphthalen-2-yl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2315784
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-cyclohexyl-N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 42317816

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide?
The IUPAC name of N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide (CID 42317966) is N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCN(c3cnccn3)CC2)cc1)c1ccc2ccccc2c1.
What is the InChIKey of N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide?
The InChIKey is SBTIROSVUVHLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c31-25(21-6-5-19-3-1-2-4-20(19)17-21)28-22-7-9-23(10-8-22)34(32,33)30-15-13-29(14-16-30)24-18-26-11-12-27-24/h1-12,17-18H,13-16H2,(H,28,31).
What are the key properties of N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide?
N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-pyrazin-2-ylpiperazin-1-yl)sulfonylphenyl]naphthalene-2-carboxamide is sourced from PubChem (CID 42317966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).