3-(morpholine-4-carbonyl)benzenesulfonyl fluoride

C11H12FNO4S — CID 138989242

IUPAC3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
SMILESO=C(c1cccc(S(=O)(=O)F)c1)N1CCOCC1
InChIInChI=1S/C11H12FNO4S/c12-18(15,16)10-3-1-2-9(8-10)11(14)13-4-6-17-7-5-13/h1-3,8H,4-7H2
InChIKeyNXVAQAAUDZISIL-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.82
Rot. Bonds2

About 3-(morpholine-4-carbonyl)benzenesulfonyl fluoride

3-(morpholine-4-carbonyl)benzenesulfonyl fluoride (PubChem CID 138989242) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-(morpholine-4-carbonyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
PubChem CID138989242
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
SMILESO=C(c1cccc(S(=O)(=O)F)c1)N1CCOCC1
InChIInChI=1S/C11H12FNO4S/c12-18(15,16)10-3-1-2-9(8-10)11(14)13-4-6-17-7-5-13/h1-3,8H,4-7H2
InChIKeyNXVAQAAUDZISIL-UHFFFAOYSA-N
XLogP0.82
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

morpholin-4-yl-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 743019
methane;(3-methylsulfonylphenyl)-morpholin-4-ylmethanone
CID 144625239
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
[3-[[(3aS,7aR)-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]sulfonyl]phenyl]-morpholin-4-ylmethanone
CID 72879903
[3-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]-morpholin-4-ylmethanone
CID 110677156
N-butyl-N-methyl-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677161
N-(3,4-difluorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 109063896
(3-morpholin-4-ylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119402219
N-(4-chlorophenyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 26583510
N-[3-(dimethylamino)propyl]-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 110677143
N-(2-methoxyethyl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 55565689

Frequently Asked Questions

What is the IUPAC name of 3-(morpholine-4-carbonyl)benzenesulfonyl fluoride?
The IUPAC name of 3-(morpholine-4-carbonyl)benzenesulfonyl fluoride (CID 138989242) is 3-(morpholine-4-carbonyl)benzenesulfonyl fluoride.
What is the SMILES notation for 3-(morpholine-4-carbonyl)benzenesulfonyl fluoride?
The canonical SMILES for 3-(morpholine-4-carbonyl)benzenesulfonyl fluoride is O=C(c1cccc(S(=O)(=O)F)c1)N1CCOCC1.
What is the InChIKey of 3-(morpholine-4-carbonyl)benzenesulfonyl fluoride?
The InChIKey is NXVAQAAUDZISIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-18(15,16)10-3-1-2-9(8-10)11(14)13-4-6-17-7-5-13/h1-3,8H,4-7H2.
What are the key properties of 3-(morpholine-4-carbonyl)benzenesulfonyl fluoride?
3-(morpholine-4-carbonyl)benzenesulfonyl fluoride has a molecular weight of 273.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholine-4-carbonyl)benzenesulfonyl fluoride is sourced from PubChem (CID 138989242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).