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

C12H12N2O4S2 — CID 103833481

IUPACmethyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCc1nccs1
InChIInChI=1S/C12H12N2O4S2/c1-18-12(15)9-4-2-3-5-10(9)20(16,17)14-8-11-13-6-7-19-11/h2-7,14H,8H2,1H3
InChIKeyTUNOSAMHILIXCG-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.41
Rot. Bonds5

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

methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate (PubChem CID 103833481) has the molecular formula C12H12N2O4S2 and a molecular weight of 312.37 g/mol. Its IUPAC name is methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate
PubChem CID103833481
Molecular FormulaC12H12N2O4S2
Molecular Weight312.37 g/mol
Exact Mass312.02
IUPAC Namemethyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)NCc1nccs1
InChIInChI=1S/C12H12N2O4S2/c1-18-12(15)9-4-2-3-5-10(9)20(16,17)14-8-11-13-6-7-19-11/h2-7,14H,8H2,1H3
InChIKeyTUNOSAMHILIXCG-UHFFFAOYSA-N
XLogP1.41
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-aminoethylsulfamoyl)benzoate
CID 43603433
methyl 2-[2-(ethylamino)ethylsulfamoyl]benzoate
CID 62662795
2-methoxy-4,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110440479
methyl 2-[(3,3-difluoro-2-hydroxypropyl)sulfamoyl]benzoate
CID 103836933
2-amino-3-fluoro-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 62056645
methyl 2-[(1-methylcyclopropyl)methylsulfamoyl]benzoate
CID 103836700
methyl 2-(2-ethylbutylsulfamoyl)benzoate
CID 115753533
4-amino-N-(1,3-thiazol-2-ylmethyl)naphthalene-1-sulfonamide
CID 115944450
2,5-dimethyl-N-(1,3-thiazol-2-ylmethyl)benzenesulfonamide
CID 110738865
methyl 2-(2-propan-2-yloxyethylsulfamoyl)benzoate
CID 104600714
ethyl 2-(ethylsulfamoyl)benzoate
CID 18338374
methyl 2-(5-methoxypentylsulfamoyl)benzoate
CID 103833559

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate?
The IUPAC name of methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate (CID 103833481) is methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate is COC(=O)c1ccccc1S(=O)(=O)NCc1nccs1.
What is the InChIKey of methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate?
The InChIKey is TUNOSAMHILIXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4S2/c1-18-12(15)9-4-2-3-5-10(9)20(16,17)14-8-11-13-6-7-19-11/h2-7,14H,8H2,1H3.
What are the key properties of methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate?
methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate has a molecular weight of 312.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-thiazol-2-ylmethylsulfamoyl)benzoate is sourced from PubChem (CID 103833481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).