3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide

C16H17FN2O5S2 — CID 42949959

IUPAC3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C16H17FN2O5S2/c17-13-6-4-12(5-7-13)16-11-19(8-9-24-16)26(22,23)15-3-1-2-14(10-15)25(18,20)21/h1-7,10,16H,8-9,11H2,(H2,18,20,21)
InChIKeyFIGORINWVOWBHC-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.24
Rot. Bonds4

About 3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide

3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide (PubChem CID 42949959) has the molecular formula C16H17FN2O5S2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide
PubChem CID42949959
Molecular FormulaC16H17FN2O5S2
Molecular Weight400.45 g/mol
Exact Mass400.06
IUPAC Name3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)c1
InChIInChI=1S/C16H17FN2O5S2/c17-13-6-4-12(5-7-13)16-11-19(8-9-24-16)26(22,23)15-3-1-2-14(10-15)25(18,20)21/h1-7,10,16H,8-9,11H2,(H2,18,20,21)
InChIKeyFIGORINWVOWBHC-UHFFFAOYSA-N
XLogP1.24
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide?
The IUPAC name of 3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide (CID 42949959) is 3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)N2CCOC(c3ccc(F)cc3)C2)c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide?
The InChIKey is FIGORINWVOWBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O5S2/c17-13-6-4-12(5-7-13)16-11-19(8-9-24-16)26(22,23)15-3-1-2-14(10-15)25(18,20)21/h1-7,10,16H,8-9,11H2,(H2,18,20,21).
What are the key properties of 3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide?
3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide has a molecular weight of 400.45 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)morpholin-4-yl]sulfonylbenzenesulfonamide is sourced from PubChem (CID 42949959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).