3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide

C22H20N4O5S — CID 43068553

IUPAC3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccnc3Oc3ccccc3)c2)CCN1
InChIInChI=1S/C22H20N4O5S/c27-20-15-26(13-12-23-20)32(29,30)18-9-4-6-16(14-18)21(28)25-19-10-5-11-24-22(19)31-17-7-2-1-3-8-17/h1-11,14H,12-13,15H2,(H,23,27)(H,25,28)
InChIKeyFHQKSAOGZMOJKW-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.25
Rot. Bonds6

About 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide

3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide (PubChem CID 43068553) has the molecular formula C22H20N4O5S and a molecular weight of 452.49 g/mol. Its IUPAC name is 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
PubChem CID43068553
Molecular FormulaC22H20N4O5S
Molecular Weight452.49 g/mol
Exact Mass452.12
IUPAC Name3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
SMILESO=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccnc3Oc3ccccc3)c2)CCN1
InChIInChI=1S/C22H20N4O5S/c27-20-15-26(13-12-23-20)32(29,30)18-9-4-6-16(14-18)21(28)25-19-10-5-11-24-22(19)31-17-7-2-1-3-8-17/h1-11,14H,12-13,15H2,(H,23,27)(H,25,28)
InChIKeyFHQKSAOGZMOJKW-UHFFFAOYSA-N
XLogP2.25
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methyl-2-pyridinyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 25332424
N-[2-(dimethylsulfamoyl)phenyl]-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55985734
N-(2,4-difluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55559568
N-(2-chloro-4-fluorophenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 55559777
N-(5-chloro-2-methylphenyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 46604362
4-morpholin-4-ylsulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43068510
3-(3-oxopiperazin-1-yl)sulfonyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 30860962
N-(6-acetyl-1,3-benzodioxol-5-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053642
N-(3-methylbutan-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053331
N-(2-amino-2-methylpropyl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 119630422
(2-chlorophenyl) 3-(3-oxopiperazin-1-yl)sulfonylbenzoate
CID 134062109
N-(1-ethylbenzimidazol-2-yl)-3-(3-oxopiperazin-1-yl)sulfonylbenzamide
CID 43053716

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide?
The IUPAC name of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide (CID 43068553) is 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide.
What is the SMILES notation for 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide?
The canonical SMILES for 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide is O=C1CN(S(=O)(=O)c2cccc(C(=O)Nc3cccnc3Oc3ccccc3)c2)CCN1.
What is the InChIKey of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide?
The InChIKey is FHQKSAOGZMOJKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5S/c27-20-15-26(13-12-23-20)32(29,30)18-9-4-6-16(14-18)21(28)25-19-10-5-11-24-22(19)31-17-7-2-1-3-8-17/h1-11,14H,12-13,15H2,(H,23,27)(H,25,28).
What are the key properties of 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide?
3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide has a molecular weight of 452.49 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxopiperazin-1-yl)sulfonyl-N-(2-phenoxy-3-pyridinyl)benzamide is sourced from PubChem (CID 43068553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).