4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine

C14H20N4O7S2 — CID 5301615

IUPAC4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C14H20N4O7S2/c19-18(20)13-2-1-3-14(12-13)26(21,22)15-4-6-16(7-5-15)27(23,24)17-8-10-25-11-9-17/h1-3,12H,4-11H2
InChIKeyHFVZHSUUXKFRIJ-UHFFFAOYSA-N
MW420.47 g/mol
LogP-0.52
Rot. Bonds5

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

4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (PubChem CID 5301615) has the molecular formula C14H20N4O7S2 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
PubChem CID5301615
Molecular FormulaC14H20N4O7S2
Molecular Weight420.47 g/mol
Exact Mass420.08
IUPAC Name4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine
SMILESO=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1
InChIInChI=1S/C14H20N4O7S2/c19-18(20)13-2-1-3-14(12-13)26(21,22)15-4-6-16(7-5-15)27(23,24)17-8-10-25-11-9-17/h1-3,12H,4-11H2
InChIKeyHFVZHSUUXKFRIJ-UHFFFAOYSA-N
XLogP-0.52
TPSA130.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(3-nitrophenyl)sulfonylpiperazin-1-ium
CID 7324404
1-(4-nitrophenyl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 19682752
4-[4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidin-2-yl]morpholine
CID 122344661
morpholin-4-yl-[1-(3-nitrophenyl)sulfonylpiperidin-4-yl]methanone
CID 3230698
4,4-dimethyl-1-(3-nitrophenyl)sulfonylpiperidine
CID 110738697
1-(3,4-dimethoxyphenyl)sulfonyl-4-(3-nitrophenyl)sulfonylpiperazine
CID 19684836
1-(3-nitrophenyl)sulfonylpiperidin-4-amine;hydrochloride
CID 120998710
1-(1,3-dioxan-4-ylmethyl)-4-(3-nitrophenyl)sulfonylpiperazine
CID 75420340
2-(3-morpholin-4-ylsulfonylanilino)-5-nitrobenzonitrile
CID 9332107
2-(3-nitrophenyl)sulfonyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 110867940
4-[3-(3-morpholin-4-ylsulfonylphenyl)sulfonylphenyl]sulfonylmorpholine
CID 2054799
N,N-dimethyl-4-(3-nitrophenyl)sulfonylpiperazine-1-carboxamide
CID 2945969

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine (CID 5301615) is 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1.
What is the InChIKey of 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
The InChIKey is HFVZHSUUXKFRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O7S2/c19-18(20)13-2-1-3-14(12-13)26(21,22)15-4-6-16(7-5-15)27(23,24)17-8-10-25-11-9-17/h1-3,12H,4-11H2.
What are the key properties of 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine?
4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine has a molecular weight of 420.47 g/mol, XLogP of -0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]sulfonylmorpholine is sourced from PubChem (CID 5301615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).