N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide

C22H23N5O3S — CID 655011

IUPACN-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)c1cnccn1
InChIInChI=1S/C22H23N5O3S/c28-22(21-16-23-10-11-24-21)25-19-6-8-20(9-7-19)31(29,30)27-14-12-26(13-15-27)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,25,28)
InChIKeyWIYVPLMTDSOTHN-UHFFFAOYSA-N
MW437.53 g/mol
LogP2.24
Rot. Bonds6

About N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide

N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide (PubChem CID 655011) has the molecular formula C22H23N5O3S and a molecular weight of 437.53 g/mol. Its IUPAC name is N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
PubChem CID655011
Molecular FormulaC22H23N5O3S
Molecular Weight437.53 g/mol
Exact Mass437.15
IUPAC NameN-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)c1cnccn1
InChIInChI=1S/C22H23N5O3S/c28-22(21-16-23-10-11-24-21)25-19-6-8-20(9-7-19)31(29,30)27-14-12-26(13-15-27)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,25,28)
InChIKeyWIYVPLMTDSOTHN-UHFFFAOYSA-N
XLogP2.24
TPSA95.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide (CID 655011) is N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)c1cnccn1.
What is the InChIKey of N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
The InChIKey is WIYVPLMTDSOTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3S/c28-22(21-16-23-10-11-24-21)25-19-6-8-20(9-7-19)31(29,30)27-14-12-26(13-15-27)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2,(H,25,28).
What are the key properties of N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide?
N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperazin-1-yl)sulfonylphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 655011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).