2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide

C11H14F2N2O3S — CID 103548886

IUPAC2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1COCCN1)c1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O3S/c12-8-1-2-10(13)11(5-8)19(16,17)15-6-9-7-18-4-3-14-9/h1-2,5,9,14-15H,3-4,6-7H2
InChIKeyBFVILIFEJFXAHH-UHFFFAOYSA-N
MW292.31 g/mol
LogP0.23
Rot. Bonds4

About 2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide

2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide (PubChem CID 103548886) has the molecular formula C11H14F2N2O3S and a molecular weight of 292.31 g/mol. Its IUPAC name is 2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
PubChem CID103548886
Molecular FormulaC11H14F2N2O3S
Molecular Weight292.31 g/mol
Exact Mass292.07
IUPAC Name2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1COCCN1)c1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2O3S/c12-8-1-2-10(13)11(5-8)19(16,17)15-6-9-7-18-4-3-14-9/h1-2,5,9,14-15H,3-4,6-7H2
InChIKeyBFVILIFEJFXAHH-UHFFFAOYSA-N
XLogP0.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-difluoro-N-(piperidin-2-ylmethyl)benzenesulfonamide
CID 43344425
4-chloro-2-methoxy-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103549019
1-(2,5-difluorophenyl)-2-morpholin-3-ylethanone
CID 81466302
2-fluoro-5-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]benzenesulfonamide
CID 94479302
1-(2,5-difluorophenyl)-3-morpholin-3-ylpropan-2-one
CID 116595683
2,5-difluoro-N-[(4-fluorophenyl)methyl]benzenesulfonamide
CID 19680619
1,1-difluoro-N-(morpholin-3-ylmethyl)methanesulfonamide
CID 103548837
N-(morpholin-3-ylmethyl)-4-propylbenzenesulfonamide
CID 103548867
methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate
CID 103548901
2-fluoro-N-(pyrrolidin-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119974473
N-ethyl-2-(morpholin-3-ylmethylamino)benzenesulfonamide
CID 103549161
4-(cyanomethyl)-N-(morpholin-3-ylmethyl)benzenesulfonamide
CID 103548799

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide (CID 103548886) is 2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1COCCN1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide?
The InChIKey is BFVILIFEJFXAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3S/c12-8-1-2-10(13)11(5-8)19(16,17)15-6-9-7-18-4-3-14-9/h1-2,5,9,14-15H,3-4,6-7H2.
What are the key properties of 2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide?
2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide has a molecular weight of 292.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-(morpholin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 103548886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).