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

C14H19N3O5S — CID 4811394

IUPAC4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C14H19N3O5S/c18-17(19)14-11-12(3-4-13(14)15-5-1-2-6-15)23(20,21)16-7-9-22-10-8-16/h3-4,11H,1-2,5-10H2
InChIKeyVAJWLJCFMBWDEJ-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.22
Rot. Bonds4

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

4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine (PubChem CID 4811394) has the molecular formula C14H19N3O5S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine
PubChem CID4811394
Molecular FormulaC14H19N3O5S
Molecular Weight341.39 g/mol
Exact Mass341.10
IUPAC Name4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine
SMILESO=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
InChIInChI=1S/C14H19N3O5S/c18-17(19)14-11-12(3-4-13(14)15-5-1-2-6-15)23(20,21)16-7-9-22-10-8-16/h3-4,11H,1-2,5-10H2
InChIKeyVAJWLJCFMBWDEJ-UHFFFAOYSA-N
XLogP1.22
TPSA92.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.22
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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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-methyl-3-nitro-4-pyrrolidin-1-ylbenzenesulfonamide
CID 4780147
N-(1-methoxypropan-2-yl)-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
CID 4781044
4-[2-(4-Ethylpiperazin-1-yl)-5-nitrophenyl]sulfonylmorpholine
CID 558538
4-{[2-(4-Methyl-1-piperazinyl)-5-nitrophenyl]sulfonyl}morpholine
CID 2920401
4-methylsulfonyl-N-(2-morpholin-4-ylethyl)-2-nitroaniline
CID 4841799
N-(2-Morpholin-4-yl-ethyl)-4-nitro-benzenesulfonamide
CID 743362
4-[(4-Nitrophenyl)sulfonyl]morpholine
CID 236269
1-[2-Nitro-4-(piperidylsulfonyl)phenyl]pyrrolidin-2-one
CID 2829410
4-[(3-Nitro-4-piperazin-1-ylphenyl)sulfonyl]morpholine
CID 3779124

Frequently Asked Questions

What is the IUPAC name of 4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine?
The IUPAC name of 4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine (CID 4811394) is 4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine?
The canonical SMILES for 4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine is O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1.
What is the InChIKey of 4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine?
The InChIKey is VAJWLJCFMBWDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S/c18-17(19)14-11-12(3-4-13(14)15-5-1-2-6-15)23(20,21)16-7-9-22-10-8-16/h3-4,11H,1-2,5-10H2.
What are the key properties of 4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine?
4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine has a molecular weight of 341.39 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitro-4-pyrrolidin-1-ylphenyl)sulfonylmorpholine is sourced from PubChem (CID 4811394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).