N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide

C16H15FN4O6S2 — CID 168900521

IUPACN-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide
SMILESO=C1CN(c2c(O)ccc(-c3ccc(NS(=O)(=O)C4CC4)cn3)c2F)S(=O)(=O)N1
InChIInChI=1S/C16H15FN4O6S2/c17-15-11(4-6-13(22)16(15)21-8-14(23)20-29(21,26)27)12-5-1-9(7-18-12)19-28(24,25)10-2-3-10/h1,4-7,10,19,22H,2-3,8H2,(H,20,23)
InChIKeySWNPUURNQLGBNQ-UHFFFAOYSA-N
MW442.45 g/mol
LogP0.68
Rot. Bonds5

About N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide

N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 168900521) has the molecular formula C16H15FN4O6S2 and a molecular weight of 442.45 g/mol. Its IUPAC name is N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide
PubChem CID168900521
Molecular FormulaC16H15FN4O6S2
Molecular Weight442.45 g/mol
Exact Mass442.04
IUPAC NameN-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide
SMILESO=C1CN(c2c(O)ccc(-c3ccc(NS(=O)(=O)C4CC4)cn3)c2F)S(=O)(=O)N1
InChIInChI=1S/C16H15FN4O6S2/c17-15-11(4-6-13(22)16(15)21-8-14(23)20-29(21,26)27)12-5-1-9(7-18-12)19-28(24,25)10-2-3-10/h1,4-7,10,19,22H,2-3,8H2,(H,20,23)
InChIKeySWNPUURNQLGBNQ-UHFFFAOYSA-N
XLogP0.68
TPSA145.77 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide (CID 168900521) is N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide is O=C1CN(c2c(O)ccc(-c3ccc(NS(=O)(=O)C4CC4)cn3)c2F)S(=O)(=O)N1.
What is the InChIKey of N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is SWNPUURNQLGBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O6S2/c17-15-11(4-6-13(22)16(15)21-8-14(23)20-29(21,26)27)12-5-1-9(7-18-12)19-28(24,25)10-2-3-10/h1,4-7,10,19,22H,2-3,8H2,(H,20,23).
What are the key properties of N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide?
N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 442.45 g/mol, XLogP of 0.68, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-fluoro-4-hydroxy-3-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 168900521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).