N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C18H18F2N2O6S2 — CID 21005889

IUPACN-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O6S2/c1-3-28-16-7-5-13(22-18(23)11(2)10-29(22,24)25)9-17(16)30(26,27)21-15-6-4-12(19)8-14(15)20/h4-9,11,21H,3,10H2,1-2H3
InChIKeyKKIMNVXMUMOIQB-UHFFFAOYSA-N
MW460.48 g/mol
LogP2.48
Rot. Bonds6

About N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 21005889) has the molecular formula C18H18F2N2O6S2 and a molecular weight of 460.48 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID21005889
Molecular FormulaC18H18F2N2O6S2
Molecular Weight460.48 g/mol
Exact Mass460.06
IUPAC NameN-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C18H18F2N2O6S2/c1-3-28-16-7-5-13(22-18(23)11(2)10-29(22,24)25)9-17(16)30(26,27)21-15-6-4-12(19)8-14(15)20/h4-9,11,21H,3,10H2,1-2H3
InChIKeyKKIMNVXMUMOIQB-UHFFFAOYSA-N
XLogP2.48
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyphenyl)-2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005488
N-(2,4-difluorophenyl)-2-ethoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005723
2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 21005844
N-butan-2-yl-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005759
N-[3-[[2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 21005877
N-(2-ethoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694695
2-ethoxy-N-[(4-methylphenyl)methyl]-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005780
N-[2-(4-chlorophenyl)ethyl]-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005803
5-bromo-N-(2,4-difluorophenyl)-2-ethoxybenzenesulfonamide
CID 2488065
2-ethoxy-N-(4-fluorophenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005695
N-(3-fluorophenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005195
N-(4-bromo-2-methylphenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005199

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 21005889) is N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is CCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is KKIMNVXMUMOIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O6S2/c1-3-28-16-7-5-13(22-18(23)11(2)10-29(22,24)25)9-17(16)30(26,27)21-15-6-4-12(19)8-14(15)20/h4-9,11,21H,3,10H2,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 460.48 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 21005889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).