3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide

C13H20FN3O3S — CID 114399151

IUPAC3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2cc(N)cc(F)c2)C1
InChIInChI=1S/C13H20FN3O3S/c1-2-17-3-4-20-12(9-17)8-16-21(18,19)13-6-10(14)5-11(15)7-13/h5-7,12,16H,2-4,8-9,15H2,1H3
InChIKeyRIKONSISJCZLJJ-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.41
Rot. Bonds5

About 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide (PubChem CID 114399151) has the molecular formula C13H20FN3O3S and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide
PubChem CID114399151
Molecular FormulaC13H20FN3O3S
Molecular Weight317.39 g/mol
Exact Mass317.12
IUPAC Name3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide
SMILESCCN1CCOC(CNS(=O)(=O)c2cc(N)cc(F)c2)C1
InChIInChI=1S/C13H20FN3O3S/c1-2-17-3-4-20-12(9-17)8-16-21(18,19)13-6-10(14)5-11(15)7-13/h5-7,12,16H,2-4,8-9,15H2,1H3
InChIKeyRIKONSISJCZLJJ-UHFFFAOYSA-N
XLogP0.41
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-hydroxybenzenesulfonamide
CID 114399093
3-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzenesulfonamide
CID 115630805
N-[(4-ethylmorpholin-2-yl)methyl]-6-oxo-1H-pyridine-3-sulfonamide
CID 114401040
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-methylthiophene-3-sulfonamide
CID 115690361
3-amino-5-fluoro-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzenesulfonamide
CID 63322314
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]ethanesulfonamide
CID 114399731
5-amino-2,3-difluoro-N-[(4-methylmorpholin-2-yl)methyl]benzenesulfonamide
CID 79080372
N-[(4-ethylmorpholin-2-yl)methyl]-4-oxo-1H-pyridine-3-sulfonamide
CID 114401039
1-(4-ethylmorpholin-2-yl)-N-[(5-fluoro-2-methylphenyl)methyl]methanamine
CID 115968124
N-[(2,4-difluorophenyl)methyl]-1-(4-ethylmorpholin-2-yl)methanamine
CID 78946861
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-4-fluoroaniline
CID 79164853
4-[(4-ethylmorpholin-2-yl)methylamino]-N-methylbenzenesulfonamide
CID 114400653

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide (CID 114399151) is 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide is CCN1CCOC(CNS(=O)(=O)c2cc(N)cc(F)c2)C1.
What is the InChIKey of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide?
The InChIKey is RIKONSISJCZLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O3S/c1-2-17-3-4-20-12(9-17)8-16-21(18,19)13-6-10(14)5-11(15)7-13/h5-7,12,16H,2-4,8-9,15H2,1H3.
What are the key properties of 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide?
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide has a molecular weight of 317.39 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 114399151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).