4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid

C11H12FNO5S — CID 102919371

IUPAC4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid
SMILESO=C(O)c1ccc(F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H12FNO5S/c12-8-1-2-9(11(14)15)10(7-8)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChIKeyDTLVPUJLZPDNFS-UHFFFAOYSA-N
MW289.28 g/mol
LogP0.54
Rot. Bonds3

About 4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid

4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid (PubChem CID 102919371) has the molecular formula C11H12FNO5S and a molecular weight of 289.28 g/mol. Its IUPAC name is 4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid.

Molecular Properties

Compound Name4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid
PubChem CID102919371
Molecular FormulaC11H12FNO5S
Molecular Weight289.28 g/mol
Exact Mass289.04
IUPAC Name4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid
SMILESO=C(O)c1ccc(F)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C11H12FNO5S/c12-8-1-2-9(11(14)15)10(7-8)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15)
InChIKeyDTLVPUJLZPDNFS-UHFFFAOYSA-N
XLogP0.54
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid 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

2-(azepan-1-ylsulfonyl)-4-fluorobenzoic acid
CID 102919377
4-fluoro-2-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]benzoic acid
CID 102919495
2-bromo-5-fluoro-3-morpholin-4-ylsulfonylbenzoic acid
CID 16776821
(4-fluoro-2-morpholin-4-ylsulfonylphenyl)methanol
CID 102919669
4-amino-2-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 102931217
4-fluoro-2-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]benzoic acid
CID 102919520
2,4-difluoro-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55341430
2-(2,2-dimethylthiomorpholin-4-yl)sulfonyl-4-fluorobenzoic acid
CID 102919651
(5-fluoro-2-morpholin-4-ylsulfonylphenyl)methanamine;hydrochloride
CID 66878651
[4-(2-chloro-4-fluorophenyl)sulfonylpiperazin-1-yl]-morpholin-4-ylmethanone
CID 55558853
2-chloro-4-fluoro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 26759942
4-fluoro-2-methylsulfonylbenzoic acid
CID 54524852

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid?
The IUPAC name of 4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid (CID 102919371) is 4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid.
What is the SMILES notation for 4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid?
The canonical SMILES for 4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid is O=C(O)c1ccc(F)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid?
The InChIKey is DTLVPUJLZPDNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO5S/c12-8-1-2-9(11(14)15)10(7-8)19(16,17)13-3-5-18-6-4-13/h1-2,7H,3-6H2,(H,14,15).
What are the key properties of 4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid?
4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid has a molecular weight of 289.28 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-morpholin-4-ylsulfonylbenzoic acid is sourced from PubChem (CID 102919371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).