4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine

C14H20N4O5S — CID 3779124

IUPAC4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCNCC1
InChIInChI=1S/C14H20N4O5S/c19-18(20)14-11-12(24(21,22)17-7-9-23-10-8-17)1-2-13(14)16-5-3-15-4-6-16/h1-2,11,15H,3-10H2
InChIKeyOWLLIFOZCPRFGA-UHFFFAOYSA-N
MW356.40 g/mol
LogP0.03
Rot. Bonds4

About 4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine

4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine (PubChem CID 3779124) has the molecular formula C14H20N4O5S and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine
PubChem CID3779124
Molecular FormulaC14H20N4O5S
Molecular Weight356.40 g/mol
Exact Mass356.12
IUPAC Name4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCNCC1
InChIInChI=1S/C14H20N4O5S/c19-18(20)14-11-12(24(21,22)17-7-9-23-10-8-17)1-2-13(14)16-5-3-15-4-6-16/h1-2,11,15H,3-10H2
InChIKeyOWLLIFOZCPRFGA-UHFFFAOYSA-N
XLogP0.03
TPSA105.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 50.03
H-Bond Donors ≤ 51
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'}

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Related Compounds

2-(Morpholin-4-yl)-5-(piperidine-1-sulfonyl)aniline
CID 3870903
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)aniline
CID 3585374
5-(Morpholine-4-sulfonyl)-2-(piperidin-1-yl)aniline
CID 4461797
N-(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylphenyl)butanamide
CID 4296426
1-[4-(2-Nitro-4-piperidin-1-ylsulfonylphenyl)piperazin-1-yl]ethanone
CID 4544760
N-(1-methoxypropan-2-yl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 4781044
N-[2-(dimethylamino)ethyl]-4-(ethylamino)-3-nitrobenzenesulfonamide
CID 4841397
4-[2-(4-Ethylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine
CID 558538
4-{[2-(4-Methyl-1-piperazinyl)-5-nitrophenyl]sulfonyl}morpholine
CID 2920401
N-[4-[4-[3-(2-morpholin-4-ylethylamino)-4-nitrophenyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2941238
3-amino-4-(cyclohexylamino)-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 145955557
4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline
CID 4841799

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine (CID 3779124) is 4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCNCC1.
What is the InChIKey of 4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine?
The InChIKey is OWLLIFOZCPRFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O5S/c19-18(20)14-11-12(24(21,22)17-7-9-23-10-8-17)1-2-13(14)16-5-3-15-4-6-16/h1-2,11,15H,3-10H2.
What are the key properties of 4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine?
4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine has a molecular weight of 356.40 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 3779124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).