methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate

C13H13NO5S2 — CID 100703324

IUPACmethyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccsc2)cc1OC
InChIInChI=1S/C13H13NO5S2/c1-18-12-7-10(3-4-11(12)13(15)19-2)21(16,17)14-9-5-6-20-8-9/h3-8,14H,1-2H3
InChIKeyILPCSQHRHRBYKN-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.34
Rot. Bonds5

About methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate

methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate (PubChem CID 100703324) has the molecular formula C13H13NO5S2 and a molecular weight of 327.38 g/mol. Its IUPAC name is methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate
PubChem CID100703324
Molecular FormulaC13H13NO5S2
Molecular Weight327.38 g/mol
Exact Mass327.02
IUPAC Namemethyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate
SMILESCOC(=O)c1ccc(S(=O)(=O)Nc2ccsc2)cc1OC
InChIInChI=1S/C13H13NO5S2/c1-18-12-7-10(3-4-11(12)13(15)19-2)21(16,17)14-9-5-6-20-8-9/h3-8,14H,1-2H3
InChIKeyILPCSQHRHRBYKN-UHFFFAOYSA-N
XLogP2.34
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-4-[(4-methylphenyl)sulfamoyl]benzoic acid
CID 57119574
methyl 4-(butylsulfamoyl)-2-methoxybenzoate
CID 167914017
methyl 4-(benzylsulfamoyl)-2-methoxybenzoate
CID 66601229
methyl 4-(3-aminopropylsulfamoyl)-2-methoxybenzoate;hydrochloride
CID 120706751
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate
CID 120716202
methyl 4-(chlorosulfonylamino)-2-methoxybenzoate
CID 175564431
3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66352299
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716201
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
methyl 4-[[2-(aminomethyl)cyclohexyl]sulfamoyl]-2-methoxybenzoate
CID 120711172
3-amino-4-chloro-N-thiophen-3-ylbenzenesulfonamide
CID 66350781
3-amino-4-bromo-N-thiophen-3-ylbenzenesulfonamide
CID 115329583

Frequently Asked Questions

What is the IUPAC name of methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate?
The IUPAC name of methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate (CID 100703324) is methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate.
What is the SMILES notation for methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate?
The canonical SMILES for methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate is COC(=O)c1ccc(S(=O)(=O)Nc2ccsc2)cc1OC.
What is the InChIKey of methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate?
The InChIKey is ILPCSQHRHRBYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO5S2/c1-18-12-7-10(3-4-11(12)13(15)19-2)21(16,17)14-9-5-6-20-8-9/h3-8,14H,1-2H3.
What are the key properties of methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate?
methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate has a molecular weight of 327.38 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate is sourced from PubChem (CID 100703324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).