1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol

C15H21FN2O4S — CID 110097916

IUPAC1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(O)(CN2CCOCC2)C1
InChIInChI=1S/C15H21FN2O4S/c16-13-1-3-14(4-2-13)23(20,21)18-6-5-15(19,12-18)11-17-7-9-22-10-8-17/h1-4,19H,5-12H2
InChIKeyGYFYJJMZZGRZQX-UHFFFAOYSA-N
MW344.41 g/mol
LogP0.28
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol

1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol (PubChem CID 110097916) has the molecular formula C15H21FN2O4S and a molecular weight of 344.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol
PubChem CID110097916
Molecular FormulaC15H21FN2O4S
Molecular Weight344.41 g/mol
Exact Mass344.12
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(F)cc1)N1CCC(O)(CN2CCOCC2)C1
InChIInChI=1S/C15H21FN2O4S/c16-13-1-3-14(4-2-13)23(20,21)18-6-5-15(19,12-18)11-17-7-9-22-10-8-17/h1-4,19H,5-12H2
InChIKeyGYFYJJMZZGRZQX-UHFFFAOYSA-N
XLogP0.28
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol (CID 110097916) is 1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol is O=S(=O)(c1ccc(F)cc1)N1CCC(O)(CN2CCOCC2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol?
The InChIKey is GYFYJJMZZGRZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O4S/c16-13-1-3-14(4-2-13)23(20,21)18-6-5-15(19,12-18)11-17-7-9-22-10-8-17/h1-4,19H,5-12H2.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol?
1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol has a molecular weight of 344.41 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(morpholin-4-ylmethyl)pyrrolidin-3-ol is sourced from PubChem (CID 110097916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).