N-(4-nitrophenyl)morpholine-4-sulfonamide

C10H13N3O5S — CID 4879157

IUPACN-(4-nitrophenyl)morpholine-4-sulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C10H13N3O5S/c14-13(15)10-3-1-9(2-4-10)11-19(16,17)12-5-7-18-8-6-12/h1-4,11H,5-8H2
InChIKeyACSDDWJVPDGUJH-UHFFFAOYSA-N
MW287.30 g/mol
LogP0.58
Rot. Bonds4

About N-(4-nitrophenyl)morpholine-4-sulfonamide

N-(4-nitrophenyl)morpholine-4-sulfonamide (PubChem CID 4879157) has the molecular formula C10H13N3O5S and a molecular weight of 287.30 g/mol. Its IUPAC name is N-(4-nitrophenyl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(4-nitrophenyl)morpholine-4-sulfonamide
PubChem CID4879157
Molecular FormulaC10H13N3O5S
Molecular Weight287.30 g/mol
Exact Mass287.06
IUPAC NameN-(4-nitrophenyl)morpholine-4-sulfonamide
SMILESO=[N+]([O-])c1ccc(NS(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C10H13N3O5S/c14-13(15)10-3-1-9(2-4-10)11-19(16,17)12-5-7-18-8-6-12/h1-4,11H,5-8H2
InChIKeyACSDDWJVPDGUJH-UHFFFAOYSA-N
XLogP0.58
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenyl)morpholine-4-sulfonamide?
The IUPAC name of N-(4-nitrophenyl)morpholine-4-sulfonamide (CID 4879157) is N-(4-nitrophenyl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(4-nitrophenyl)morpholine-4-sulfonamide?
The canonical SMILES for N-(4-nitrophenyl)morpholine-4-sulfonamide is O=[N+]([O-])c1ccc(NS(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-nitrophenyl)morpholine-4-sulfonamide?
The InChIKey is ACSDDWJVPDGUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5S/c14-13(15)10-3-1-9(2-4-10)11-19(16,17)12-5-7-18-8-6-12/h1-4,11H,5-8H2.
What are the key properties of N-(4-nitrophenyl)morpholine-4-sulfonamide?
N-(4-nitrophenyl)morpholine-4-sulfonamide has a molecular weight of 287.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenyl)morpholine-4-sulfonamide is sourced from PubChem (CID 4879157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).