N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

C16H17FN2O5S2 — CID 2105725

IUPACN-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H17FN2O5S2/c17-13-1-3-14(4-2-13)18-25(20,21)15-5-7-16(8-6-15)26(22,23)19-9-11-24-12-10-19/h1-8,18H,9-12H2
InChIKeyIYSHHHXNGQSYLB-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.65
Rot. Bonds5

About N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 2105725) has the molecular formula C16H17FN2O5S2 and a molecular weight of 400.45 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID2105725
Molecular FormulaC16H17FN2O5S2
Molecular Weight400.45 g/mol
Exact Mass400.06
IUPAC NameN-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H17FN2O5S2/c17-13-1-3-14(4-2-13)18-25(20,21)15-5-7-16(8-6-15)26(22,23)19-9-11-24-12-10-19/h1-8,18H,9-12H2
InChIKeyIYSHHHXNGQSYLB-UHFFFAOYSA-N
XLogP1.65
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 2105725) is N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is IYSHHHXNGQSYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O5S2/c17-13-1-3-14(4-2-13)18-25(20,21)15-5-7-16(8-6-15)26(22,23)19-9-11-24-12-10-19/h1-8,18H,9-12H2.
What are the key properties of N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 400.45 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 2105725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).