4-(2-nitrophenyl)sulfonylmorpholine

C10H12N2O5S — CID 796972

IUPAC4-(2-nitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H12N2O5S/c13-12(14)9-3-1-2-4-10(9)18(15,16)11-5-7-17-8-6-11/h1-4H,5-8H2
InChIKeyNXJKHLDWXHCTMN-UHFFFAOYSA-N
MW272.28 g/mol
LogP0.62
Rot. Bonds3

About 4-(2-nitrophenyl)sulfonylmorpholine

4-(2-nitrophenyl)sulfonylmorpholine (PubChem CID 796972) has the molecular formula C10H12N2O5S and a molecular weight of 272.28 g/mol. Its IUPAC name is 4-(2-nitrophenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2-nitrophenyl)sulfonylmorpholine
PubChem CID796972
Molecular FormulaC10H12N2O5S
Molecular Weight272.28 g/mol
Exact Mass272.05
IUPAC Name4-(2-nitrophenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1ccccc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C10H12N2O5S/c13-12(14)9-3-1-2-4-10(9)18(15,16)11-5-7-17-8-6-11/h1-4H,5-8H2
InChIKeyNXJKHLDWXHCTMN-UHFFFAOYSA-N
XLogP0.62
TPSA89.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-(4-chlorophenyl)sulfonyl-4-(2-nitrophenyl)sulfonylpiperazine
CID 1342939
1-(2-nitrophenyl)sulfonyl-1,5-diazocane
CID 121014557
4-methylsulfonyl-1-(2-nitrophenyl)sulfonylpiperidine
CID 90585229
1-(2-nitrophenyl)sulfonylpiperidine-4-carbaldehyde
CID 63845539
3,6,9,12-tetrakis[(2-nitrophenyl)sulfonyl]-3,6,9,12-tetrazatricyclo[12.6.2.015,20]docosa-1(21),14(22),15,17,19-pentaene
CID 101172308
1-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 63596741
N-methyl-3-morpholin-4-ylsulfonyl-4-nitroaniline
CID 62149643
(4-morpholin-4-ylsulfonyl-3-nitrophenyl)hydrazine
CID 43325275
2-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]pyrimidine
CID 2063878
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
2-morpholin-4-ylsulfonylphenol
CID 79020270
1-[2-(2,5-dimethylpyrrol-1-yl)ethyl]-4-(2-nitrophenyl)sulfonylpiperazine
CID 2376038

Frequently Asked Questions

What is the IUPAC name of 4-(2-nitrophenyl)sulfonylmorpholine?
The IUPAC name of 4-(2-nitrophenyl)sulfonylmorpholine (CID 796972) is 4-(2-nitrophenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(2-nitrophenyl)sulfonylmorpholine?
The canonical SMILES for 4-(2-nitrophenyl)sulfonylmorpholine is O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-(2-nitrophenyl)sulfonylmorpholine?
The InChIKey is NXJKHLDWXHCTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O5S/c13-12(14)9-3-1-2-4-10(9)18(15,16)11-5-7-17-8-6-11/h1-4H,5-8H2.
What are the key properties of 4-(2-nitrophenyl)sulfonylmorpholine?
4-(2-nitrophenyl)sulfonylmorpholine has a molecular weight of 272.28 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-nitrophenyl)sulfonylmorpholine is sourced from PubChem (CID 796972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).