3-amino-N-morpholin-4-ylbenzenesulfonamide

C10H15N3O3S — CID 83013072

IUPAC3-amino-N-morpholin-4-ylbenzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NN2CCOCC2)c1
InChIInChI=1S/C10H15N3O3S/c11-9-2-1-3-10(8-9)17(14,15)12-13-4-6-16-7-5-13/h1-3,8,12H,4-7,11H2
InChIKeyHPKDJLLXZGHAQO-UHFFFAOYSA-N
MW257.31 g/mol
LogP-0.21
Rot. Bonds3

About 3-amino-N-morpholin-4-ylbenzenesulfonamide

3-amino-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 83013072) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-amino-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-morpholin-4-ylbenzenesulfonamide
PubChem CID83013072
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-amino-N-morpholin-4-ylbenzenesulfonamide
SMILESNc1cccc(S(=O)(=O)NN2CCOCC2)c1
InChIInChI=1S/C10H15N3O3S/c11-9-2-1-3-10(8-9)17(14,15)12-13-4-6-16-7-5-13/h1-3,8,12H,4-7,11H2
InChIKeyHPKDJLLXZGHAQO-UHFFFAOYSA-N
XLogP-0.21
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 3-amino-N-morpholin-4-ylbenzenesulfonamide (CID 83013072) is 3-amino-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-morpholin-4-ylbenzenesulfonamide is Nc1cccc(S(=O)(=O)NN2CCOCC2)c1.
What is the InChIKey of 3-amino-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is HPKDJLLXZGHAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c11-9-2-1-3-10(8-9)17(14,15)12-13-4-6-16-7-5-13/h1-3,8,12H,4-7,11H2.
What are the key properties of 3-amino-N-morpholin-4-ylbenzenesulfonamide?
3-amino-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 257.31 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 83013072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).