methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate

C11H9NO4S2 — CID 118061370

IUPACmethyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)c2nccs2)c1
InChIInChI=1S/C11H9NO4S2/c1-16-10(13)8-3-2-4-9(7-8)18(14,15)11-12-5-6-17-11/h2-7H,1H3
InChIKeyMEFWNKXBVUIAEL-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.76
Rot. Bonds3

About methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate

methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate (PubChem CID 118061370) has the molecular formula C11H9NO4S2 and a molecular weight of 283.33 g/mol. Its IUPAC name is methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate.

Molecular Properties

Compound Namemethyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate
PubChem CID118061370
Molecular FormulaC11H9NO4S2
Molecular Weight283.33 g/mol
Exact Mass283.00
IUPAC Namemethyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate
SMILESCOC(=O)c1cccc(S(=O)(=O)c2nccs2)c1
InChIInChI=1S/C11H9NO4S2/c1-16-10(13)8-3-2-4-9(7-8)18(14,15)11-12-5-6-17-11/h2-7H,1H3
InChIKeyMEFWNKXBVUIAEL-UHFFFAOYSA-N
XLogP1.76
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate 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

methyl 3-pyridin-2-ylsulfonylbenzoate
CID 66872637
methyl 3-methylsulfonylbenzoate
CID 6432252
sodium methyl 3-[(3-methoxycarbonylphenyl)sulfonylsulfamoyl]benzoate
CID 21124986
methyl 3-[1-(1,3-thiazol-2-yl)ethylamino]benzoate
CID 64993607
CID 70265363
CID 70265363
carbanide;(3-methoxycarbonylphenyl)sulfonyl-methylazanide;yttrium
CID 58436438
methyl 3-(methoxymethylsulfonyl)benzoate
CID 170742316
methyl 3-(3-methoxycarbonylphenyl)sulfonyloxybenzoate
CID 31758187
CID 159558349
CID 159558349
methyl 3-[methyl-[(1S)-1-thiophen-2-ylethyl]sulfamoyl]benzoate
CID 31769683
methyl 3-(2-methylpropylsulfonyl)benzoate
CID 118342719
methyl 3-pyrimidin-2-ylbenzoate
CID 69487031

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate?
The IUPAC name of methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate (CID 118061370) is methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate.
What is the SMILES notation for methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate?
The canonical SMILES for methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate is COC(=O)c1cccc(S(=O)(=O)c2nccs2)c1.
What is the InChIKey of methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate?
The InChIKey is MEFWNKXBVUIAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S2/c1-16-10(13)8-3-2-4-9(7-8)18(14,15)11-12-5-6-17-11/h2-7H,1H3.
What are the key properties of methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate?
methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate has a molecular weight of 283.33 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1,3-thiazol-2-ylsulfonyl)benzoate is sourced from PubChem (CID 118061370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).