4-(morpholine-4-carbonyl)benzenesulfonyl fluoride

C11H12FNO4S — CID 165461287

IUPAC4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
SMILESO=C(c1ccc(S(=O)(=O)F)cc1)N1CCOCC1
InChIInChI=1S/C11H12FNO4S/c12-18(15,16)10-3-1-9(2-4-10)11(14)13-5-7-17-8-6-13/h1-4H,5-8H2
InChIKeyAOSUPLYCECHISL-UHFFFAOYSA-N
MW273.28 g/mol
LogP0.82
Rot. Bonds2

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

4-(morpholine-4-carbonyl)benzenesulfonyl fluoride (PubChem CID 165461287) has the molecular formula C11H12FNO4S and a molecular weight of 273.28 g/mol. Its IUPAC name is 4-(morpholine-4-carbonyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
PubChem CID165461287
Molecular FormulaC11H12FNO4S
Molecular Weight273.28 g/mol
Exact Mass273.05
IUPAC Name4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
SMILESO=C(c1ccc(S(=O)(=O)F)cc1)N1CCOCC1
InChIInChI=1S/C11H12FNO4S/c12-18(15,16)10-3-1-9(2-4-10)11(14)13-5-7-17-8-6-13/h1-4H,5-8H2
InChIKeyAOSUPLYCECHISL-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

Analyze 4-(morpholine-4-carbonyl)benzenesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 138989242
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-(2,3-dihydro-1H-indol-3-ylsulfonyl)phenyl]-morpholin-4-ylmethanone
CID 69428960
2,5-difluoro-4-[[4-(morpholine-4-carbonyl)phenyl]sulfonylamino]benzoic acid
CID 130296898
(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 126851675
[4-[(3R)-3-methylpiperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone
CID 40791712
4-(morpholine-4-carbonyl)-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 128931008
[4-(1,4-diazepan-1-ylsulfonyl)phenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119963161
N-(3-chloro-4-fluorophenyl)-4-(morpholine-4-carbonyl)benzenesulfonamide
CID 39825155

Frequently Asked Questions

What is the IUPAC name of 4-(morpholine-4-carbonyl)benzenesulfonyl fluoride?
The IUPAC name of 4-(morpholine-4-carbonyl)benzenesulfonyl fluoride (CID 165461287) is 4-(morpholine-4-carbonyl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(morpholine-4-carbonyl)benzenesulfonyl fluoride?
The canonical SMILES for 4-(morpholine-4-carbonyl)benzenesulfonyl fluoride is O=C(c1ccc(S(=O)(=O)F)cc1)N1CCOCC1.
What is the InChIKey of 4-(morpholine-4-carbonyl)benzenesulfonyl fluoride?
The InChIKey is AOSUPLYCECHISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S/c12-18(15,16)10-3-1-9(2-4-10)11(14)13-5-7-17-8-6-13/h1-4H,5-8H2.
What are the key properties of 4-(morpholine-4-carbonyl)benzenesulfonyl fluoride?
4-(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 4-(morpholine-4-carbonyl)benzenesulfonyl fluoride is sourced from PubChem (CID 165461287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).