methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate

C12H15N3O4S2 — CID 102748048

IUPACmethyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCCn1cc(NS(=O)(=O)c2c(C)csc2C(=O)OC)cn1
InChIInChI=1S/C12H15N3O4S2/c1-4-15-6-9(5-13-15)14-21(17,18)11-8(2)7-20-10(11)12(16)19-3/h5-7,14H,4H2,1-3H3
InChIKeyYBVRZIAWLDCFQK-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.86
Rot. Bonds5

About methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate

methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate (PubChem CID 102748048) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
PubChem CID102748048
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Namemethyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate
SMILESCCn1cc(NS(=O)(=O)c2c(C)csc2C(=O)OC)cn1
InChIInChI=1S/C12H15N3O4S2/c1-4-15-6-9(5-13-15)14-21(17,18)11-8(2)7-20-10(11)12(16)19-3/h5-7,14H,4H2,1-3H3
InChIKeyYBVRZIAWLDCFQK-UHFFFAOYSA-N
XLogP1.86
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The IUPAC name of methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate (CID 102748048) is methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate is CCn1cc(NS(=O)(=O)c2c(C)csc2C(=O)OC)cn1.
What is the InChIKey of methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
The InChIKey is YBVRZIAWLDCFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-4-15-6-9(5-13-15)14-21(17,18)11-8(2)7-20-10(11)12(16)19-3/h5-7,14H,4H2,1-3H3.
What are the key properties of methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate?
methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-ethylpyrazol-4-yl)sulfamoyl]-4-methylthiophene-2-carboxylate is sourced from PubChem (CID 102748048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).