3-morpholin-4-ylsulfonylbenzohydrazide

C11H15N3O4S — CID 877246

IUPAC3-morpholin-4-ylsulfonylbenzohydrazide
SMILESNNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H15N3O4S/c12-13-11(15)9-2-1-3-10(8-9)19(16,17)14-4-6-18-7-5-14/h1-3,8H,4-7,12H2,(H,13,15)
InChIKeyFWIFKKUOURUDNG-UHFFFAOYSA-N
MW285.32 g/mol
LogP-0.69
Rot. Bonds3

About 3-morpholin-4-ylsulfonylbenzohydrazide

3-morpholin-4-ylsulfonylbenzohydrazide (PubChem CID 877246) has the molecular formula C11H15N3O4S and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-morpholin-4-ylsulfonylbenzohydrazide.

Molecular Properties

Compound Name3-morpholin-4-ylsulfonylbenzohydrazide
PubChem CID877246
Molecular FormulaC11H15N3O4S
Molecular Weight285.32 g/mol
Exact Mass285.08
IUPAC Name3-morpholin-4-ylsulfonylbenzohydrazide
SMILESNNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C11H15N3O4S/c12-13-11(15)9-2-1-3-10(8-9)19(16,17)14-4-6-18-7-5-14/h1-3,8H,4-7,12H2,(H,13,15)
InChIKeyFWIFKKUOURUDNG-UHFFFAOYSA-N
XLogP-0.69
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 3-morpholin-4-ylsulfonylbenzohydrazide?
The IUPAC name of 3-morpholin-4-ylsulfonylbenzohydrazide (CID 877246) is 3-morpholin-4-ylsulfonylbenzohydrazide.
What is the SMILES notation for 3-morpholin-4-ylsulfonylbenzohydrazide?
The canonical SMILES for 3-morpholin-4-ylsulfonylbenzohydrazide is NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 3-morpholin-4-ylsulfonylbenzohydrazide?
The InChIKey is FWIFKKUOURUDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c12-13-11(15)9-2-1-3-10(8-9)19(16,17)14-4-6-18-7-5-14/h1-3,8H,4-7,12H2,(H,13,15).
What are the key properties of 3-morpholin-4-ylsulfonylbenzohydrazide?
3-morpholin-4-ylsulfonylbenzohydrazide has a molecular weight of 285.32 g/mol, XLogP of -0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ylsulfonylbenzohydrazide is sourced from PubChem (CID 877246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).