4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine

C16H16N2O6S — CID 7998163

IUPAC4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H16N2O6S/c19-18(20)15-3-1-2-4-16(15)24-13-5-7-14(8-6-13)25(21,22)17-9-11-23-12-10-17/h1-8H,9-12H2
InChIKeyGQSXMRYZVQPANB-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.41
Rot. Bonds5

About 4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine

4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine (PubChem CID 7998163) has the molecular formula C16H16N2O6S and a molecular weight of 364.38 g/mol. Its IUPAC name is 4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine
PubChem CID7998163
Molecular FormulaC16H16N2O6S
Molecular Weight364.38 g/mol
Exact Mass364.07
IUPAC Name4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine
SMILESO=[N+]([O-])c1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H16N2O6S/c19-18(20)15-3-1-2-4-16(15)24-13-5-7-14(8-6-13)25(21,22)17-9-11-23-12-10-17/h1-8H,9-12H2
InChIKeyGQSXMRYZVQPANB-UHFFFAOYSA-N
XLogP2.41
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.41
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'}

Analyze 4-[4-(2-nitrophenoxy)phenyl]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

5-(Morpholine-4-sulfonyl)-2-phenoxyaniline
CID 3809457
4-[2-(2-Nitrophenoxy)ethyl]morpholine
CID 867361
4-[4-(4-Nitrophenoxy)phenyl]sulfonylmorpholine
CID 1097192
4-(2,3-dihydro-4H-1,4-benzoxazin-4-ylsulfonyl)phenyl methyl ether
CID 1473035
2-(4-Ethoxyphenoxy)-5-(morpholinosulfonyl)aniline
CID 3833553
4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2945716
2-Phenoxy-5-(piperidine-1-sulfonyl)aniline
CID 3853257
4-(4-Ethoxy-3-nitrophenyl)sulfonylmorpholine
CID 4689860
4-(3-Nitro-4-propoxyphenyl)sulfonylmorpholine
CID 4793305
N-(2-methoxyphenyl)-N-(2-phenoxyethyl)benzenesulfonamide
CID 4880111
1-[(4-Butoxyphenyl)sulfonyl]-4-(2-ethoxyphenyl)piperazine
CID 2921330
1-[4-(4-Nitrophenoxy)phenyl]sulfonylpiperidine
CID 1101034

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine?
The IUPAC name of 4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine (CID 7998163) is 4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine?
The canonical SMILES for 4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine is O=[N+]([O-])c1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine?
The InChIKey is GQSXMRYZVQPANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O6S/c19-18(20)15-3-1-2-4-16(15)24-13-5-7-14(8-6-13)25(21,22)17-9-11-23-12-10-17/h1-8H,9-12H2.
What are the key properties of 4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine?
4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine has a molecular weight of 364.38 g/mol, XLogP of 2.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-nitrophenoxy)phenyl]sulfonylmorpholine is sourced from PubChem (CID 7998163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).