4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide

C23H18N4O4S — CID 37315998

IUPAC4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide
SMILESO=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N4O4S/c28-23(26-19-5-4-6-20(15-19)31-22-16-24-13-14-25-22)17-9-11-18(12-10-17)27-32(29,30)21-7-2-1-3-8-21/h1-16,27H,(H,26,28)
InChIKeyWFIHFXRQPAZFFB-UHFFFAOYSA-N
MW446.49 g/mol
LogP4.32
Rot. Bonds7

About 4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide

4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide (PubChem CID 37315998) has the molecular formula C23H18N4O4S and a molecular weight of 446.49 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide
PubChem CID37315998
Molecular FormulaC23H18N4O4S
Molecular Weight446.49 g/mol
Exact Mass446.10
IUPAC Name4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide
SMILESO=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H18N4O4S/c28-23(26-19-5-4-6-20(15-19)31-22-16-24-13-14-25-22)17-9-11-18(12-10-17)27-32(29,30)21-7-2-1-3-8-21/h1-16,27H,(H,26,28)
InChIKeyWFIHFXRQPAZFFB-UHFFFAOYSA-N
XLogP4.32
TPSA110.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide (CID 37315998) is 4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide is O=C(Nc1cccc(Oc2cnccn2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide?
The InChIKey is WFIHFXRQPAZFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O4S/c28-23(26-19-5-4-6-20(15-19)31-22-16-24-13-14-25-22)17-9-11-18(12-10-17)27-32(29,30)21-7-2-1-3-8-21/h1-16,27H,(H,26,28).
What are the key properties of 4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide?
4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide has a molecular weight of 446.49 g/mol, XLogP of 4.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(3-pyrazin-2-yloxyphenyl)benzamide is sourced from PubChem (CID 37315998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).