4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide

C19H22N2O6S2 — CID 21005017

IUPAC4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O6S2/c1-4-27-16-9-5-14(6-10-16)20-29(25,26)17-11-7-15(8-12-17)21-18(22)19(2,3)13-28(21,23)24/h5-12,20H,4,13H2,1-3H3
InChIKeyJROVXRKZRFFNLP-UHFFFAOYSA-N
MW438.53 g/mol
LogP2.59
Rot. Bonds6

About 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide

4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide (PubChem CID 21005017) has the molecular formula C19H22N2O6S2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide
PubChem CID21005017
Molecular FormulaC19H22N2O6S2
Molecular Weight438.53 g/mol
Exact Mass438.09
IUPAC Name4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1
InChIInChI=1S/C19H22N2O6S2/c1-4-27-16-9-5-14(6-10-16)20-29(25,26)17-11-7-15(8-12-17)21-18(22)19(2,3)13-28(21,23)24/h5-12,20H,4,13H2,1-3H3
InChIKeyJROVXRKZRFFNLP-UHFFFAOYSA-N
XLogP2.59
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-[[4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]sulfonylamino]benzoate
CID 21005380
N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]-4-ethoxybenzenesulfonamide
CID 110637700
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 121141816
4-ethoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 8860403
4-ethoxy-N-(4-fluorophenyl)benzenesulfonamide
CID 848328
N-(4-ethoxyphenyl)-4-(3-oxomorpholin-4-yl)benzenesulfonamide
CID 110372508
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-ethoxybenzenesulfonamide
CID 21372462
N-[4-(4-ethoxyanilino)phenyl]-4-methoxybenzenesulfonamide
CID 112987708
N-(4-ethoxyphenyl)-4-prop-2-enoxybenzenesulfonamide
CID 141457924
2-[4-[(4-ethoxyphenyl)sulfonylamino]phenoxy]acetic acid
CID 1260151

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide (CID 21005017) is 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide is CCOc1ccc(NS(=O)(=O)c2ccc(N3C(=O)C(C)(C)CS3(=O)=O)cc2)cc1.
What is the InChIKey of 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide?
The InChIKey is JROVXRKZRFFNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S2/c1-4-27-16-9-5-14(6-10-16)20-29(25,26)17-11-7-15(8-12-17)21-18(22)19(2,3)13-28(21,23)24/h5-12,20H,4,13H2,1-3H3.
What are the key properties of 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide?
4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide has a molecular weight of 438.53 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(4-ethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 21005017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).