methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate

C13H13NO4S2 — CID 2808793

IUPACmethyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H13NO4S2/c1-9-3-5-10(6-4-9)14-20(16,17)11-7-8-19-12(11)13(15)18-2/h3-8,14H,1-2H3
InChIKeyQDPSXBFQJIYEEQ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.64
Rot. Bonds4

About methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 2808793) has the molecular formula C13H13NO4S2 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
PubChem CID2808793
Molecular FormulaC13H13NO4S2
Molecular Weight311.38 g/mol
Exact Mass311.03
IUPAC Namemethyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C13H13NO4S2/c1-9-3-5-10(6-4-9)14-20(16,17)11-7-8-19-12(11)13(15)18-2/h3-8,14H,1-2H3
InChIKeyQDPSXBFQJIYEEQ-UHFFFAOYSA-N
XLogP2.64
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate (CID 2808793) is methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is QDPSXBFQJIYEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4S2/c1-9-3-5-10(6-4-9)14-20(16,17)11-7-8-19-12(11)13(15)18-2/h3-8,14H,1-2H3.
What are the key properties of methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 311.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methylphenyl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 2808793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).