methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate

C11H13N3O4S2 — CID 43547547

IUPACmethyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H13N3O4S2/c1-6-9(7(2)13-12-6)14-20(16,17)8-4-5-19-10(8)11(15)18-3/h4-5,14H,1-3H3,(H,12,13)
InChIKeyVEYCJTGIGAXFNG-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.68
Rot. Bonds4

About methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate

methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 43547547) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID43547547
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Namemethyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H13N3O4S2/c1-6-9(7(2)13-12-6)14-20(16,17)8-4-5-19-10(8)11(15)18-3/h4-5,14H,1-3H3,(H,12,13)
InChIKeyVEYCJTGIGAXFNG-UHFFFAOYSA-N
XLogP1.68
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
CID 61394313
methyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 10615322
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
methyl 3-[(3-methyl-5-oxo-1H-1,2,4-triazol-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 19881683
methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate
CID 115698302
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
CID 43047412
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-hydroxybenzenesulfonamide
CID 81241328
methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 3821881
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate (CID 43547547) is methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is VEYCJTGIGAXFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-6-9(7(2)13-12-6)14-20(16,17)8-4-5-19-10(8)11(15)18-3/h4-5,14H,1-3H3,(H,12,13).
What are the key properties of methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 315.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 43547547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).