[2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide

C17H18FN3O6S2 — CID 69128768

IUPAC[2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(CS(N)(=O)=O)c(Cc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2)c1
InChIInChI=1S/C17H18FN3O6S2/c1-10-2-3-12(9-28(19,24)25)13(4-10)5-11-6-14(18)17(15(22)7-11)21-8-16(23)20-29(21,26)27/h2-4,6-7,22H,5,8-9H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyWXILFIXZJFWQFW-UHFFFAOYSA-N
MW443.48 g/mol
LogP0.40
Rot. Bonds5

About [2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide

[2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide (PubChem CID 69128768) has the molecular formula C17H18FN3O6S2 and a molecular weight of 443.48 g/mol. Its IUPAC name is [2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide.

Molecular Properties

Compound Name[2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide
PubChem CID69128768
Molecular FormulaC17H18FN3O6S2
Molecular Weight443.48 g/mol
Exact Mass443.06
IUPAC Name[2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide
SMILESCc1ccc(CS(N)(=O)=O)c(Cc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2)c1
InChIInChI=1S/C17H18FN3O6S2/c1-10-2-3-12(9-28(19,24)25)13(4-10)5-11-6-14(18)17(15(22)7-11)21-8-16(23)20-29(21,26)27/h2-4,6-7,22H,5,8-9H2,1H3,(H,20,23)(H2,19,24,25)
InChIKeyWXILFIXZJFWQFW-UHFFFAOYSA-N
XLogP0.40
TPSA146.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide?
The IUPAC name of [2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide (CID 69128768) is [2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide.
What is the SMILES notation for [2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide?
The canonical SMILES for [2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide is Cc1ccc(CS(N)(=O)=O)c(Cc2cc(O)c(N3CC(=O)NS3(=O)=O)c(F)c2)c1.
What is the InChIKey of [2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide?
The InChIKey is WXILFIXZJFWQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O6S2/c1-10-2-3-12(9-28(19,24)25)13(4-10)5-11-6-14(18)17(15(22)7-11)21-8-16(23)20-29(21,26)27/h2-4,6-7,22H,5,8-9H2,1H3,(H,20,23)(H2,19,24,25).
What are the key properties of [2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide?
[2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide has a molecular weight of 443.48 g/mol, XLogP of 0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-fluoro-5-hydroxy-4-(1,1,4-trioxo-1,2,5-thiadiazolidin-2-yl)phenyl]methyl]-4-methylphenyl]methanesulfonamide is sourced from PubChem (CID 69128768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).