2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile

C16H20N4O4S — CID 34665578

IUPAC2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H20N4O4S/c17-13-14-3-1-2-4-15(14)25(22,23)20-7-5-18(6-8-20)16(21)19-9-11-24-12-10-19/h1-4H,5-12H2
InChIKeyUISJDJFXEDQGDT-UHFFFAOYSA-N
MW364.43 g/mol
LogP0.32
Rot. Bonds2

About 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile

2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile (PubChem CID 34665578) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile.

Molecular Properties

Compound Name2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
PubChem CID34665578
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
SMILESN#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H20N4O4S/c17-13-14-3-1-2-4-15(14)25(22,23)20-7-5-18(6-8-20)16(21)19-9-11-24-12-10-19/h1-4H,5-12H2
InChIKeyUISJDJFXEDQGDT-UHFFFAOYSA-N
XLogP0.32
TPSA93.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-cyanophenyl)sulfonylpiperazine-1-carboxylic acid
CID 175456558
[4-(2-bromophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55476348
2-[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]sulfonylbenzonitrile
CID 110805398
2-[4-(4-chlorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822428
N-tert-butyl-4-(2-cyanophenyl)sulfonylpiperazine-1-carboxamide
CID 110811220
2-[4-(2-phenylacetyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822233
2-[4-(4-fluorobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 4822354
2-[4-(2-iodobenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 27807016
2-[4-[(1R)-2,2-dichloro-1-methylcyclopropanecarbonyl]piperazin-1-yl]sulfonylbenzonitrile
CID 30879579
2-[(4-propanoyl-1,4-diazepan-1-yl)sulfonyl]benzonitrile
CID 110796557
4-(2-cyanophenyl)sulfonyl-N-propylpiperazine-1-carboxamide
CID 110811219
morpholin-4-yl-[4-(4-morpholin-4-ylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 24603019

Frequently Asked Questions

What is the IUPAC name of 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile?
The IUPAC name of 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile (CID 34665578) is 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile.
What is the SMILES notation for 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile?
The canonical SMILES for 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile is N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile?
The InChIKey is UISJDJFXEDQGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c17-13-14-3-1-2-4-15(14)25(22,23)20-7-5-18(6-8-20)16(21)19-9-11-24-12-10-19/h1-4H,5-12H2.
What are the key properties of 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile?
2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile has a molecular weight of 364.43 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(morpholine-4-carbonyl)piperazin-1-yl]sulfonylbenzonitrile is sourced from PubChem (CID 34665578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).