2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C12H18FN3O3S — CID 29289330

IUPAC2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C12H18FN3O3S/c13-10-1-2-12(11(14)9-10)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8,14H2
InChIKeyIXJDEDGENOMPBS-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.02
Rot. Bonds5

About 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 29289330) has the molecular formula C12H18FN3O3S and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID29289330
Molecular FormulaC12H18FN3O3S
Molecular Weight303.36 g/mol
Exact Mass303.11
IUPAC Name2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESNc1cc(F)ccc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C12H18FN3O3S/c13-10-1-2-12(11(14)9-10)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8,14H2
InChIKeyIXJDEDGENOMPBS-UHFFFAOYSA-N
XLogP0.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.02
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 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 29289330) is 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is Nc1cc(F)ccc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is IXJDEDGENOMPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O3S/c13-10-1-2-12(11(14)9-10)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8,14H2.
What are the key properties of 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 303.36 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 29289330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).