4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine

C11H13N3O4S — CID 2400480

IUPAC4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc2ncn(O)c2c1)N1CCOCC1
InChIInChI=1S/C11H13N3O4S/c15-14-8-12-10-2-1-9(7-11(10)14)19(16,17)13-3-5-18-6-4-13/h1-2,7-8,15H,3-6H2
InChIKeyUKWFOAUDNJUWOC-UHFFFAOYSA-N
MW283.31 g/mol
LogP0.29
Rot. Bonds2

About 4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine

4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine (PubChem CID 2400480) has the molecular formula C11H13N3O4S and a molecular weight of 283.31 g/mol. Its IUPAC name is 4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine
PubChem CID2400480
Molecular FormulaC11H13N3O4S
Molecular Weight283.31 g/mol
Exact Mass283.06
IUPAC Name4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine
SMILESO=S(=O)(c1ccc2ncn(O)c2c1)N1CCOCC1
InChIInChI=1S/C11H13N3O4S/c15-14-8-12-10-2-1-9(7-11(10)14)19(16,17)13-3-5-18-6-4-13/h1-2,7-8,15H,3-6H2
InChIKeyUKWFOAUDNJUWOC-UHFFFAOYSA-N
XLogP0.29
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine?
The IUPAC name of 4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine (CID 2400480) is 4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine?
The canonical SMILES for 4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine is O=S(=O)(c1ccc2ncn(O)c2c1)N1CCOCC1.
What is the InChIKey of 4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine?
The InChIKey is UKWFOAUDNJUWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S/c15-14-8-12-10-2-1-9(7-11(10)14)19(16,17)13-3-5-18-6-4-13/h1-2,7-8,15H,3-6H2.
What are the key properties of 4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine?
4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine has a molecular weight of 283.31 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxybenzimidazol-5-yl)sulfonylmorpholine is sourced from PubChem (CID 2400480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).