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

C12H18FN2O3S+ — CID 7850818

IUPAC2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC[NH+]1CCOCC1)c1ccccc1F
InChIInChI=1S/C12H17FN2O3S/c13-11-3-1-2-4-12(11)19(16,17)14-5-6-15-7-9-18-10-8-15/h1-4,14H,5-10H2/p+1
InChIKeyVLDDAYNWIMLDRP-UHFFFAOYSA-O
MW289.35 g/mol
LogP-0.98
Rot. Bonds5

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

2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide (PubChem CID 7850818) has the molecular formula C12H18FN2O3S+ and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
PubChem CID7850818
Molecular FormulaC12H18FN2O3S+
Molecular Weight289.35 g/mol
Exact Mass289.10
IUPAC Name2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCC[NH+]1CCOCC1)c1ccccc1F
InChIInChI=1S/C12H17FN2O3S/c13-11-3-1-2-4-12(11)19(16,17)14-5-6-15-7-9-18-10-8-15/h1-4,14H,5-10H2/p+1
InChIKeyVLDDAYNWIMLDRP-UHFFFAOYSA-O
XLogP-0.98
TPSA59.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide (CID 7850818) is 2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide is O=S(=O)(NCC[NH+]1CCOCC1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
The InChIKey is VLDDAYNWIMLDRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H17FN2O3S/c13-11-3-1-2-4-12(11)19(16,17)14-5-6-15-7-9-18-10-8-15/h1-4,14H,5-10H2/p+1.
What are the key properties of 2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide?
2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide has a molecular weight of 289.35 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-morpholin-4-ium-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 7850818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).