3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide

C11H15FN2O4S — CID 81219360

IUPAC3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCOC(CO)C2)c(F)c1
InChIInChI=1S/C11H15FN2O4S/c12-10-5-9(19(13,16)17)1-2-11(10)14-3-4-18-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2,(H2,13,16,17)
InChIKeyWWTYLBPVQFRPSG-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.33
Rot. Bonds3

About 3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide

3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide (PubChem CID 81219360) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
PubChem CID81219360
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CCOC(CO)C2)c(F)c1
InChIInChI=1S/C11H15FN2O4S/c12-10-5-9(19(13,16)17)1-2-11(10)14-3-4-18-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2,(H2,13,16,17)
InChIKeyWWTYLBPVQFRPSG-UHFFFAOYSA-N
XLogP-0.33
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-fluoro-4-sulfamoylphenyl)morpholin-2-yl]acetic acid
CID 66433060
2-[2-(hydroxymethyl)morpholin-4-yl]-5-sulfamoylbenzoic acid
CID 81195386
4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide
CID 81219831
2-amino-4-fluoro-5-[2-(hydroxymethyl)morpholin-4-yl]benzoic acid
CID 81219671
4-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-fluorobenzenesulfonamide
CID 115314626
[4-(4-amino-2-bromophenyl)morpholin-2-yl]methanol
CID 81205561
1-[5-fluoro-2-[(2R)-2-(hydroxymethyl)morpholin-4-yl]phenyl]ethanone
CID 175171832
3-fluoro-4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]benzenesulfonamide
CID 112627808
[4-(4-amino-2-methylphenyl)morpholin-2-yl]methanol
CID 81205635
[(2R)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 166940465
[(2S)-4-(3-amino-4-fluorophenyl)morpholin-2-yl]methanol
CID 162439692
3-fluoro-4-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenesulfonamide
CID 82685589

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide (CID 81219360) is 3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(N2CCOC(CO)C2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide?
The InChIKey is WWTYLBPVQFRPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c12-10-5-9(19(13,16)17)1-2-11(10)14-3-4-18-8(6-14)7-15/h1-2,5,8,15H,3-4,6-7H2,(H2,13,16,17).
What are the key properties of 3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide?
3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide has a molecular weight of 290.32 g/mol, XLogP of -0.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(hydroxymethyl)morpholin-4-yl]benzenesulfonamide is sourced from PubChem (CID 81219360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).