morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

C15H20N4O6S — CID 2945784

IUPACmorpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H20N4O6S/c20-15(17-8-10-25-11-9-17)16-4-6-18(7-5-16)26(23,24)14-3-1-2-13(12-14)19(21)22/h1-3,12H,4-11H2
InChIKeyHNKWNZDAUBPKNC-UHFFFAOYSA-N
MW384.41 g/mol
LogP0.35
Rot. Bonds3

About morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone

morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 2945784) has the molecular formula C15H20N4O6S and a molecular weight of 384.41 g/mol. Its IUPAC name is morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID2945784
Molecular FormulaC15H20N4O6S
Molecular Weight384.41 g/mol
Exact Mass384.11
IUPAC Namemorpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1
InChIInChI=1S/C15H20N4O6S/c20-15(17-8-10-25-11-9-17)16-4-6-18(7-5-16)26(23,24)14-3-1-2-13(12-14)19(21)22/h1-3,12H,4-11H2
InChIKeyHNKWNZDAUBPKNC-UHFFFAOYSA-N
XLogP0.35
TPSA113.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone (CID 2945784) is morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone is O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1.
What is the InChIKey of morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is HNKWNZDAUBPKNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O6S/c20-15(17-8-10-25-11-9-17)16-4-6-18(7-5-16)26(23,24)14-3-1-2-13(12-14)19(21)22/h1-3,12H,4-11H2.
What are the key properties of morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone?
morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 384.41 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 2945784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).