5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide

C10H13F2N3O3S — CID 83013153

IUPAC5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NN2CCOCC2)c(F)cc1F
InChIInChI=1S/C10H13F2N3O3S/c11-7-5-8(12)10(6-9(7)13)19(16,17)14-15-1-3-18-4-2-15/h5-6,14H,1-4,13H2
InChIKeyJSCYTHFINIMJFJ-UHFFFAOYSA-N
MW293.30 g/mol
LogP0.07
Rot. Bonds3

About 5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide

5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide (PubChem CID 83013153) has the molecular formula C10H13F2N3O3S and a molecular weight of 293.30 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide
PubChem CID83013153
Molecular FormulaC10H13F2N3O3S
Molecular Weight293.30 g/mol
Exact Mass293.06
IUPAC Name5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide
SMILESNc1cc(S(=O)(=O)NN2CCOCC2)c(F)cc1F
InChIInChI=1S/C10H13F2N3O3S/c11-7-5-8(12)10(6-9(7)13)19(16,17)14-15-1-3-18-4-2-15/h5-6,14H,1-4,13H2
InChIKeyJSCYTHFINIMJFJ-UHFFFAOYSA-N
XLogP0.07
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.07
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 5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide (CID 83013153) is 5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide is Nc1cc(S(=O)(=O)NN2CCOCC2)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide?
The InChIKey is JSCYTHFINIMJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3S/c11-7-5-8(12)10(6-9(7)13)19(16,17)14-15-1-3-18-4-2-15/h5-6,14H,1-4,13H2.
What are the key properties of 5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide?
5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide has a molecular weight of 293.30 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-morpholin-4-ylbenzenesulfonamide is sourced from PubChem (CID 83013153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).