4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide

C13H19FN2O3S — CID 43064575

IUPAC4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C13H19FN2O3S/c1-11(16-6-8-19-9-7-16)10-15-20(17,18)13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3
InChIKeyZCRLWUCSWORXCP-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.82
Rot. Bonds5

About 4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide

4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide (PubChem CID 43064575) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is 4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
PubChem CID43064575
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
SMILESCC(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C13H19FN2O3S/c1-11(16-6-8-19-9-7-16)10-15-20(17,18)13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3
InChIKeyZCRLWUCSWORXCP-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-morpholin-4-ylpropyl]-4-phenylbenzenesulfonamide
CID 39835568
4-fluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42912963
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]acetamide
CID 43064581
4-fluoro-N-[2-(2-methoxyphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 112504148
N-[4-(2-morpholin-4-ylpropylsulfamoyl)phenyl]propanamide
CID 49239958
N-[(2S)-2-morpholin-4-ylpropyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 51873210
N-(2-morpholin-4-ylpropyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide
CID 43064539
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-4-fluorobenzenesulfonamide
CID 112503825
4-chloro-N-(2-morpholin-4-ylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43074811
3,4-difluoro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 42891982
2-bromo-N-(2-morpholin-4-ylpropyl)benzenesulfonamide
CID 43064542
4-fluoro-N-(3-methyl-2-piperidin-1-ylbutyl)benzenesulfonamide
CID 110402904

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide (CID 43064575) is 4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide is CC(CNS(=O)(=O)c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
The InChIKey is ZCRLWUCSWORXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-11(16-6-8-19-9-7-16)10-15-20(17,18)13-4-2-12(14)3-5-13/h2-5,11,15H,6-10H2,1H3.
What are the key properties of 4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide?
4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide has a molecular weight of 302.37 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-morpholin-4-ylpropyl)benzenesulfonamide is sourced from PubChem (CID 43064575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).