1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide

C17H18F2N2O4S2 — CID 71796452

IUPAC1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C17H18F2N2O4S2/c1-12-3-5-15(21-7-2-8-27(21,24)25)10-17(12)20-26(22,23)11-13-9-14(18)4-6-16(13)19/h3-6,9-10,20H,2,7-8,11H2,1H3
InChIKeyFHGZRYVQYXMTIO-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.76
Rot. Bonds5

About 1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide

1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide (PubChem CID 71796452) has the molecular formula C17H18F2N2O4S2 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide
PubChem CID71796452
Molecular FormulaC17H18F2N2O4S2
Molecular Weight416.47 g/mol
Exact Mass416.07
IUPAC Name1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide
SMILESCc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)Cc1cc(F)ccc1F
InChIInChI=1S/C17H18F2N2O4S2/c1-12-3-5-15(21-7-2-8-27(21,24)25)10-17(12)20-26(22,23)11-13-9-14(18)4-6-16(13)19/h3-6,9-10,20H,2,7-8,11H2,1H3
InChIKeyFHGZRYVQYXMTIO-UHFFFAOYSA-N
XLogP2.76
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide?
The IUPAC name of 1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide (CID 71796452) is 1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide.
What is the SMILES notation for 1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide?
The canonical SMILES for 1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide is Cc1ccc(N2CCCS2(=O)=O)cc1NS(=O)(=O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide?
The InChIKey is FHGZRYVQYXMTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O4S2/c1-12-3-5-15(21-7-2-8-27(21,24)25)10-17(12)20-26(22,23)11-13-9-14(18)4-6-16(13)19/h3-6,9-10,20H,2,7-8,11H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide?
1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide has a molecular weight of 416.47 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-N-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]methanesulfonamide is sourced from PubChem (CID 71796452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).