N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide

C13H19FN2O3S — CID 113092744

IUPACN-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C13H19FN2O3S/c1-2-9-20(17,18)15-12-10-11(14)3-4-13(12)16-5-7-19-8-6-16/h3-4,10,15H,2,5-9H2,1H3
InChIKeyQOZKTXNFZVVTHJ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.81
Rot. Bonds5

About N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide

N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide (PubChem CID 113092744) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide
PubChem CID113092744
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC NameN-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1
InChIInChI=1S/C13H19FN2O3S/c1-2-9-20(17,18)15-12-10-11(14)3-4-13(12)16-5-7-19-8-6-16/h3-4,10,15H,2,5-9H2,1H3
InChIKeyQOZKTXNFZVVTHJ-UHFFFAOYSA-N
XLogP1.81
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Morpholin-4-yl)-5-(piperidine-1-sulfonyl)aniline
CID 3870903
2-Morpholinoaniline
CID 735756
2-(Morpholin-4-yl)-5-(morpholine-4-sulfonyl)aniline
CID 3585374
5-(Morpholine-4-sulfonyl)-2-(piperidin-1-yl)aniline
CID 4461797
N-(3-Fluoro-phenyl)-N-(2-morpholin-4-yl-2-oxo-ethyl)-methanesulfonamide
CID 894067
1-(2-Fluorophenyl)-4-(propylsulfonyl)piperazine
CID 2947309
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 2677684
2-(4-Ethylpiperazin-1-yl)-5-(morpholine-4-sulfonyl)aniline
CID 3778066
4-{[4-(4-Fluorophenyl)piperazin-1-yl]sulfonyl}morpholine
CID 1094981
N-[2-(diethylamino)-5-morpholin-4-ylsulfonylphenyl]methanesulfonamide
CID 4427397
4-fluoro-N-(4-morpholinophenyl)benzenesulfonamide
CID 784121
1-(Ethylsulfonyl)-4-(2-fluorophenyl)piperazine
CID 898195

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide (CID 113092744) is N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1cc(F)ccc1N1CCOCC1.
What is the InChIKey of N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide?
The InChIKey is QOZKTXNFZVVTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-2-9-20(17,18)15-12-10-11(14)3-4-13(12)16-5-7-19-8-6-16/h3-4,10,15H,2,5-9H2,1H3.
What are the key properties of N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide?
N-(5-fluoro-2-morpholin-4-ylphenyl)propane-1-sulfonamide has a molecular weight of 302.37 g/mol, XLogP of 1.81, 5 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)propane-1-sulfonamide is sourced from PubChem (CID 113092744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).