5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C13H19FN2O4S — CID 6487446

IUPAC5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C13H19FN2O4S/c1-19-12-3-2-11(14)10-13(12)21(17,18)15-4-5-16-6-8-20-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyBCUJSFPLFMXFOK-UHFFFAOYSA-N
MW318.37 g/mol
LogP0.44
Rot. Bonds6

About 5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide

5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 6487446) has the molecular formula C13H19FN2O4S and a molecular weight of 318.37 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID6487446
Molecular FormulaC13H19FN2O4S
Molecular Weight318.37 g/mol
Exact Mass318.10
IUPAC Name5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESCOc1ccc(F)cc1S(=O)(=O)NCCN1CCOCC1
InChIInChI=1S/C13H19FN2O4S/c1-19-12-3-2-11(14)10-13(12)21(17,18)15-4-5-16-6-8-20-9-7-16/h2-3,10,15H,4-9H2,1H3
InChIKeyBCUJSFPLFMXFOK-UHFFFAOYSA-N
XLogP0.44
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-5-methylsulfonyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110300194
2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198
5-(benzenesulfonyl)-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 25180258
5-bromo-2-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 2059491
2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60822981
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 42267714
2-methoxy-3,5-dimethyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 110758317
5-fluoro-2-methoxy-N-[(2R)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 30835930
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
N-[2-methoxy-5-(2-morpholin-4-ylethylsulfamoyl)phenyl]acetamide
CID 8777848
3-[4-(2,4-difluorophenyl)sulfonylpiperazin-1-yl]-4-methoxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 46088874
5-[[4-methoxy-3-(2-morpholin-4-ylethylsulfamoyl)benzoyl]amino]-2-[2-[4-[[4-methoxy-3-(2-morpholin-4-ylethylsulfamoyl)benzoyl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
CID 54426454

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 6487446) is 5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is COc1ccc(F)cc1S(=O)(=O)NCCN1CCOCC1.
What is the InChIKey of 5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is BCUJSFPLFMXFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O4S/c1-19-12-3-2-11(14)10-13(12)21(17,18)15-4-5-16-6-8-20-9-7-16/h2-3,10,15H,4-9H2,1H3.
What are the key properties of 5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 318.37 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 6487446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).