methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate

C9H9N3O4S2 — CID 61394313

IUPACmethyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H9N3O4S2/c1-16-9(13)8-6(3-5-17-8)18(14,15)12-7-2-4-10-11-7/h2-5H,1H3,(H2,10,11,12)
InChIKeyWPFYMBFGFHHJNW-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.06
Rot. Bonds4

About methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate

methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate (PubChem CID 61394313) has the molecular formula C9H9N3O4S2 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
PubChem CID61394313
Molecular FormulaC9H9N3O4S2
Molecular Weight287.32 g/mol
Exact Mass287.00
IUPAC Namemethyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccn[nH]1
InChIInChI=1S/C9H9N3O4S2/c1-16-9(13)8-6(3-5-17-8)18(14,15)12-7-2-4-10-11-7/h2-5H,1H3,(H2,10,11,12)
InChIKeyWPFYMBFGFHHJNW-UHFFFAOYSA-N
XLogP1.06
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 43547547
methyl 3-[(2-chloro-3-pyridinyl)sulfamoyl]thiophene-2-carboxylate
CID 25041389
methyl 3-(1H-indazol-7-ylsulfamoyl)thiophene-2-carboxylate
CID 43047412
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158
methyl 3-[(3,4-dimethylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 5069019
methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate
CID 115698302
methyl 3-[(2-iodophenyl)sulfamoyl]thiophene-2-carboxylate
CID 35857830
methyl 3-[[4-(4-chlorophenoxy)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 5163836
methyl 3-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 10615322
methyl 3-[(5-chloro-2-pyrazol-1-ylphenyl)sulfamoyl]thiophene-2-carboxylate
CID 60534296
methyl 3-(3-methylbutan-2-ylsulfamoyl)thiophene-2-carboxylate
CID 78836894

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate (CID 61394313) is methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccn[nH]1.
What is the InChIKey of methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate?
The InChIKey is WPFYMBFGFHHJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O4S2/c1-16-9(13)8-6(3-5-17-8)18(14,15)12-7-2-4-10-11-7/h2-5H,1H3,(H2,10,11,12).
What are the key properties of methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate?
methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate has a molecular weight of 287.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate is sourced from PubChem (CID 61394313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).