2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide

C10H15N3O5S2 — CID 22424102

IUPAC2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N2CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C10H15N3O5S2/c11-9-2-1-8(7-10(9)19(12,14)15)20(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6,11H2,(H2,12,14,15)
InChIKeyMIIWXIHRMQIIKV-UHFFFAOYSA-N
MW321.38 g/mol
LogP-1.06
Rot. Bonds3

About 2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide

2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 22424102) has the molecular formula C10H15N3O5S2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID22424102
Molecular FormulaC10H15N3O5S2
Molecular Weight321.38 g/mol
Exact Mass321.05
IUPAC Name2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESNc1ccc(S(=O)(=O)N2CCOCC2)cc1S(N)(=O)=O
InChIInChI=1S/C10H15N3O5S2/c11-9-2-1-8(7-10(9)19(12,14)15)20(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6,11H2,(H2,12,14,15)
InChIKeyMIIWXIHRMQIIKV-UHFFFAOYSA-N
XLogP-1.06
TPSA132.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of 2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide (CID 22424102) is 2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide is Nc1ccc(S(=O)(=O)N2CCOCC2)cc1S(N)(=O)=O.
What is the InChIKey of 2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is MIIWXIHRMQIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5S2/c11-9-2-1-8(7-10(9)19(12,14)15)20(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6,11H2,(H2,12,14,15).
What are the key properties of 2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide?
2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 321.38 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 22424102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).