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

C14H15N3O6S2 — CID 22695075

IUPAC2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)no1
InChIInChI=1S/C14H15N3O6S2/c1-9-3-4-11(17-14(18)5-6-24(17,19)20)8-12(9)25(21,22)16-13-7-10(2)23-15-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyRREQWRDKFLMLHR-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.16
Rot. Bonds4

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

2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (PubChem CID 22695075) has the molecular formula C14H15N3O6S2 and a molecular weight of 385.42 g/mol. Its IUPAC name is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
PubChem CID22695075
Molecular FormulaC14H15N3O6S2
Molecular Weight385.42 g/mol
Exact Mass385.04
IUPAC Name2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)no1
InChIInChI=1S/C14H15N3O6S2/c1-9-3-4-11(17-14(18)5-6-24(17,19)20)8-12(9)25(21,22)16-13-7-10(2)23-15-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16)
InChIKeyRREQWRDKFLMLHR-UHFFFAOYSA-N
XLogP1.16
TPSA126.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996033
N-(2-ethylphenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995978
N-[4-[[2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]phenyl]acetamide
CID 20996020
N-(2,4-dimethoxyphenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20996013
(2S)-2-[[2-methoxy-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22695113
N-(2-cyanophenyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22695181
N-[(2S)-butan-2-yl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 42342558
N-(2-hydroxy-2-methylpropyl)-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 110306774
N-[(4-fluorophenyl)methyl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995937
N-(5-chloro-2-methylphenyl)-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694341
2-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 22695035
N-[2-(4-fluorophenyl)ethyl]-2-methyl-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 20995949

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide (CID 22695075) is 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(N3C(=O)CCS3(=O)=O)ccc2C)no1.
What is the InChIKey of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
The InChIKey is RREQWRDKFLMLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O6S2/c1-9-3-4-11(17-14(18)5-6-24(17,19)20)8-12(9)25(21,22)16-13-7-10(2)23-15-13/h3-4,7-8H,5-6H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide?
2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide has a molecular weight of 385.42 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-5-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 22695075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).