4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid

C13H15FN2O6S — CID 119239726

IUPAC4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid
SMILESCS(=O)(=O)Nc1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1F
InChIInChI=1S/C13H15FN2O6S/c1-23(20,21)15-10-6-8(2-3-9(10)14)12(17)16-4-5-22-11(7-16)13(18)19/h2-3,6,11,15H,4-5,7H2,1H3,(H,18,19)
InChIKeyOYZSQHNZWOQHQA-UHFFFAOYSA-N
MW346.34 g/mol
LogP0.12
Rot. Bonds4

About 4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid

4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid (PubChem CID 119239726) has the molecular formula C13H15FN2O6S and a molecular weight of 346.34 g/mol. Its IUPAC name is 4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid
PubChem CID119239726
Molecular FormulaC13H15FN2O6S
Molecular Weight346.34 g/mol
Exact Mass346.06
IUPAC Name4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid
SMILESCS(=O)(=O)Nc1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1F
InChIInChI=1S/C13H15FN2O6S/c1-23(20,21)15-10-6-8(2-3-9(10)14)12(17)16-4-5-22-11(7-16)13(18)19/h2-3,6,11,15H,4-5,7H2,1H3,(H,18,19)
InChIKeyOYZSQHNZWOQHQA-UHFFFAOYSA-N
XLogP0.12
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]methanesulfonamide
CID 134044426
4-(3-iodo-4-methylbenzoyl)morpholine-2-carboxylic acid
CID 119239111
4-(3-fluoro-4-nitrobenzoyl)morpholine-2-carboxylic acid
CID 62681609
N-[2-fluoro-5-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]methanesulfonamide
CID 119544105
4-(4-chloro-3-methylbenzoyl)morpholine-2-carboxylic acid
CID 113265061
4-[4-(trifluoromethylsulfonyl)benzoyl]morpholine-2-carboxylic acid
CID 126795264
4-[4-methoxy-3-(methylsulfamoyl)benzoyl]morpholine-2-carboxylic acid
CID 119239861
4-[4-(difluoromethylsulfonyl)benzoyl]morpholine-2-carboxylic acid
CID 119358136
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-fluorophenyl]methanesulfonamide
CID 68943849
4-(3-fluoro-4-methylbenzoyl)morpholine-2-carbothioamide
CID 79675097
N-[4-(2-methylmorpholine-4-carbonyl)phenyl]methanesulfonamide
CID 46510193
4-(4-piperidin-1-ylsulfonylbenzoyl)morpholine-2-carboxylic acid
CID 119238696

Frequently Asked Questions

What is the IUPAC name of 4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid (CID 119239726) is 4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid is CS(=O)(=O)Nc1cc(C(=O)N2CCOC(C(=O)O)C2)ccc1F.
What is the InChIKey of 4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is OYZSQHNZWOQHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O6S/c1-23(20,21)15-10-6-8(2-3-9(10)14)12(17)16-4-5-22-11(7-16)13(18)19/h2-3,6,11,15H,4-5,7H2,1H3,(H,18,19).
What are the key properties of 4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid?
4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 346.34 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-fluoro-3-(methanesulfonamido)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).