N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

C19H22N2O5S2 — CID 22695184

IUPACN-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C
InChIInChI=1S/C19H22N2O5S2/c1-4-20(16-7-5-6-14(2)12-16)28(25,26)18-13-17(9-8-15(18)3)21-19(22)10-11-27(21,23)24/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyBDRHFVDDUUEFQB-UHFFFAOYSA-N
MW422.53 g/mol
LogP2.59
Rot. Bonds5

About N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide

N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 22695184) has the molecular formula C19H22N2O5S2 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID22695184
Molecular FormulaC19H22N2O5S2
Molecular Weight422.53 g/mol
Exact Mass422.10
IUPAC NameN-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCCN(c1cccc(C)c1)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C
InChIInChI=1S/C19H22N2O5S2/c1-4-20(16-7-5-6-14(2)12-16)28(25,26)18-13-17(9-8-15(18)3)21-19(22)10-11-27(21,23)24/h5-9,12-13H,4,10-11H2,1-3H3
InChIKeyBDRHFVDDUUEFQB-UHFFFAOYSA-N
XLogP2.59
TPSA91.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-ethyl-2,5-dimethyl-N-(3-methylphenyl)benzenesulfonamide
CID 66485793
N-[(2S)-butan-2-yl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342558
2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695035
2-[4-methyl-3-(4-phenylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 20897639
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 23611834
2-[3-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-4-methylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 42343274
3-tert-butyl-N-ethyl-1-methyl-N-(3-methylphenyl)pyrazole-4-sulfonamide
CID 42283584
N-[(4-fluorophenyl)methyl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995937
N-(1,3-benzodioxol-5-yl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996033
5-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)-N-ethyl-2-methyl-N-phenylbenzenesulfonamide
CID 68543054
N-butyl-2-methoxy-N-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695092
N-(2,5-dimethylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694978

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 22695184) is N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is CCN(c1cccc(C)c1)S(=O)(=O)c1cc(N2C(=O)CCS2(=O)=O)ccc1C.
What is the InChIKey of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is BDRHFVDDUUEFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5S2/c1-4-20(16-7-5-6-14(2)12-16)28(25,26)18-13-17(9-8-15(18)3)21-19(22)10-11-27(21,23)24/h5-9,12-13H,4,10-11H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 422.53 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(3-methylphenyl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 22695184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).