N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide

C11H15FN2O3S — CID 113092742

IUPACN-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C11H15FN2O3S/c1-18(15,16)13-10-8-9(12)2-3-11(10)14-4-6-17-7-5-14/h2-3,8,13H,4-7H2,1H3
InChIKeyIGRGTDKZAMIJCO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.03
Rot. Bonds3

About N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide

N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide (PubChem CID 113092742) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide
PubChem CID113092742
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC NameN-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C11H15FN2O3S/c1-18(15,16)13-10-8-9(12)2-3-11(10)14-4-6-17-7-5-14/h2-3,8,13H,4-7H2,1H3
InChIKeyIGRGTDKZAMIJCO-UHFFFAOYSA-N
XLogP1.03
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Morpholinoaniline
CID 735756
N-(3-Fluoro-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 894067
N-(4-fluorophenyl)morpholine-4-sulfonamide
CID 2978606
1-(2-Fluorophenyl)-4-(methylsulfonyl)piperazine
CID 831830
4-{[4-(4-Fluorophenyl)piperazin-1-yl]sulfonyl}morpholine
CID 1094981
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]methanesulfonamide
CID 4427397
4-[4-(2-Fluorophenyl)piperazin-1-yl]sulfonylmorpholine
CID 973790
N-(4-fluorophenyl)-2-morpholin-4-ylethanesulfonamide
CID 76335733
1-(4-Fluorophenyl)-4-(methylsulfonyl)piperazine
CID 669039
Ethanesulfonanilide, N-(2-morpholinopropyl)-
CID 24837905
5-Fluoro-2-(morpholin-4-yl)aniline
CID 6485404
2-(Morpholin-4-yl)aniline dihydrochloride
CID 75481890

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide?
The IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide (CID 113092742) is N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide is CS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1.
What is the InChIKey of N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide?
The InChIKey is IGRGTDKZAMIJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-18(15,16)13-10-8-9(12)2-3-11(10)14-4-6-17-7-5-14/h2-3,8,13H,4-7H2,1H3.
What are the key properties of N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide?
N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide has a molecular weight of 274.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-morpholin-4-ylphenyl)methanesulfonamide is sourced from PubChem (CID 113092742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).