5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride

C15H20ClFN2O5S — CID 67661072

IUPAC5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(S(=O)(=O)N2CCOCC2)C(c2ccccc2F)N1
InChIInChI=1S/C15H19FN2O5S.ClH/c16-11-4-2-1-3-10(11)14-13(9-12(17-14)15(19)20)24(21,22)18-5-7-23-8-6-18;/h1-4,12-14,17H,5-9H2,(H,19,20);1H
InChIKeyRJDSCWFYHZLJBF-UHFFFAOYSA-N
MW394.85 g/mol
LogP0.77
Rot. Bonds4

About 5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride

5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 67661072) has the molecular formula C15H20ClFN2O5S and a molecular weight of 394.85 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID67661072
Molecular FormulaC15H20ClFN2O5S
Molecular Weight394.85 g/mol
Exact Mass394.08
IUPAC Name5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CC(S(=O)(=O)N2CCOCC2)C(c2ccccc2F)N1
InChIInChI=1S/C15H19FN2O5S.ClH/c16-11-4-2-1-3-10(11)14-13(9-12(17-14)15(19)20)24(21,22)18-5-7-23-8-6-18;/h1-4,12-14,17H,5-9H2,(H,19,20);1H
InChIKeyRJDSCWFYHZLJBF-UHFFFAOYSA-N
XLogP0.77
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.85
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-fluorophenyl)-4-methylsulfonylpyrrolidine-2-carboxylic acid
CID 19700420
4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 19700401
4-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolidine-2-carboxylate
CID 19709499
5-(2-fluorophenyl)pyrrolidine-2,4-dicarboxylic acid
CID 19709519
benzyl 4-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolidine-2-carboxylate;hydrochloride
CID 139692984
(1R,3S)-3-(morpholin-4-ylsulfonylamino)-2,3-dihydro-1H-indene-1-carboxylic acid
CID 166253691
1-[3-(2-fluorophenyl)-4-methylpiperazin-1-yl]-3-morpholin-4-ylsulfonylpropan-1-one
CID 110310475
2-[(3R)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]benzoic acid
CID 95710485
5-(2-fluorophenyl)-2-oxoimidazolidine-4-carboxylic acid
CID 83849942
N-(2-fluorophenyl)morpholine-4-sulfonamide
CID 110706019
3-(2-fluorophenyl)pyrazolidine-4-carboxylic acid
CID 53441832
(3R,4R)-3-(2-fluorophenyl)-2-methyl-4-piperidin-1-ylsulfonyl-1,2-oxazolidine
CID 129422834

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride (CID 67661072) is 5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CC(S(=O)(=O)N2CCOCC2)C(c2ccccc2F)N1.
What is the InChIKey of 5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is RJDSCWFYHZLJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O5S.ClH/c16-11-4-2-1-3-10(11)14-13(9-12(17-14)15(19)20)24(21,22)18-5-7-23-8-6-18;/h1-4,12-14,17H,5-9H2,(H,19,20);1H.
What are the key properties of 5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride?
5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 394.85 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-4-morpholin-4-ylsulfonylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 67661072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).