2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride

C11H12ClNO6S2 — CID 16642586

IUPAC2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
SMILESCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H12ClNO6S2/c1-7-6-20(15,16)13(11(7)14)8-3-4-9(19-2)10(5-8)21(12,17)18/h3-5,7H,6H2,1-2H3
InChIKeyXHRUMWGQPALZFX-UHFFFAOYSA-N
MW353.81 g/mol
LogP0.94
Rot. Bonds3

About 2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride

2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride (PubChem CID 16642586) has the molecular formula C11H12ClNO6S2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
PubChem CID16642586
Molecular FormulaC11H12ClNO6S2
Molecular Weight353.81 g/mol
Exact Mass352.98
IUPAC Name2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride
SMILESCOc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)Cl
InChIInChI=1S/C11H12ClNO6S2/c1-7-6-20(15,16)13(11(7)14)8-3-4-9(19-2)10(5-8)21(12,17)18/h3-5,7H,6H2,1-2H3
InChIKeyXHRUMWGQPALZFX-UHFFFAOYSA-N
XLogP0.94
TPSA97.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-methoxy-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 21005420
N-[2-(4-chlorophenyl)ethyl]-2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005442
N-(2-ethoxyphenyl)-2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005488
N-(5-chloro-2-methoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 22694689
ethyl (3R)-1-[2-methoxy-5-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]phenyl]sulfonylpiperidine-3-carboxylate
CID 51690817
N-methoxy-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 110421080
4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-N-(3,4,5-trimethoxyphenyl)benzenesulfonamide
CID 21004841
N-benzyl-2-ethoxy-N-methyl-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005782
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
2-chloro-N-(5-chloro-2-methoxyphenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007281
N-[2-(4-chlorophenyl)ethyl]-2-ethoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005803

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride?
The IUPAC name of 2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride (CID 16642586) is 2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride.
What is the SMILES notation for 2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride?
The canonical SMILES for 2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride is COc1ccc(N2C(=O)C(C)CS2(=O)=O)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride?
The InChIKey is XHRUMWGQPALZFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO6S2/c1-7-6-20(15,16)13(11(7)14)8-3-4-9(19-2)10(5-8)21(12,17)18/h3-5,7H,6H2,1-2H3.
What are the key properties of 2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride?
2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride has a molecular weight of 353.81 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonyl chloride is sourced from PubChem (CID 16642586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).