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

C12H17FN2O3S — CID 84551613

IUPAC3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O3S/c13-11-2-1-3-12(10-11)19(16,17)14-4-5-15-6-8-18-9-7-15/h1-3,10,14H,4-9H2
InChIKeyXHECQRNIHGMGAD-UHFFFAOYSA-N
MW288.34 g/mol
LogP0.44
Rot. Bonds5

About 3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 84551613) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is 3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID84551613
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC Name3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1cccc(F)c1
InChIInChI=1S/C12H17FN2O3S/c13-11-2-1-3-12(10-11)19(16,17)14-4-5-15-6-8-18-9-7-15/h1-3,10,14H,4-9H2
InChIKeyXHECQRNIHGMGAD-UHFFFAOYSA-N
XLogP0.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 47206339
3-fluoro-N-[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]benzenesulfonamide
CID 100653397
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
2-(3-fluorophenyl)-N-[[3-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 16665633
3-fluoro-N-[2-[(3-fluorophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 30170522
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198
2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60822981
N-[(3-fluorophenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3152143
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
3-fluoro-N-(2-morpholin-4-yl-2-phenylethyl)benzenesulfonamide
CID 47023210

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 84551613) is 3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is XHECQRNIHGMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c13-11-2-1-3-12(10-11)19(16,17)14-4-5-15-6-8-18-9-7-15/h1-3,10,14H,4-9H2.
What are the key properties of 3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 84551613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).