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

C12H15N3O4S2 — CID 115698302

IUPACmethyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCCCc1cc(NS(=O)(=O)c2ccsc2C(=O)OC)n[nH]1
InChIInChI=1S/C12H15N3O4S2/c1-3-4-8-7-10(14-13-8)15-21(17,18)9-5-6-20-11(9)12(16)19-2/h5-7H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyXWSIKNYNUQHLCV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.01
Rot. Bonds6

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

methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate (PubChem CID 115698302) has the molecular formula C12H15N3O4S2 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate
PubChem CID115698302
Molecular FormulaC12H15N3O4S2
Molecular Weight329.40 g/mol
Exact Mass329.05
IUPAC Namemethyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate
SMILESCCCc1cc(NS(=O)(=O)c2ccsc2C(=O)OC)n[nH]1
InChIInChI=1S/C12H15N3O4S2/c1-3-4-8-7-10(14-13-8)15-21(17,18)9-5-6-20-11(9)12(16)19-2/h5-7H,3-4H2,1-2H3,(H2,13,14,15)
InChIKeyXWSIKNYNUQHLCV-UHFFFAOYSA-N
XLogP2.01
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophene-2-carboxylate
CID 43547547
methyl 3-(1,3-thiazol-2-ylsulfamoyl)thiophene-2-carboxylate
CID 25044512
methyl 3-(1H-pyrazol-5-ylsulfamoyl)thiophene-2-carboxylate
CID 61394313
2,4-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115692563
methyl 3-[(4-ethoxyphenyl)sulfamoyl]thiophene-2-carboxylate
CID 16831992
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617482
4-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]benzamide
CID 115698308
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
N-(methylsulfamoyl)-5-propyl-1H-pyrazol-3-amine
CID 114810260
methyl 3-[(3-cyclopropyl-1-methylpyrazol-5-yl)sulfamoyl]thiophene-2-carboxylate
CID 3821881
methyl 3-[(4-bromophenyl)sulfamoyl]thiophene-2-carboxylate
CID 16832158

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate (CID 115698302) is methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate is CCCc1cc(NS(=O)(=O)c2ccsc2C(=O)OC)n[nH]1.
What is the InChIKey of methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate?
The InChIKey is XWSIKNYNUQHLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S2/c1-3-4-8-7-10(14-13-8)15-21(17,18)9-5-6-20-11(9)12(16)19-2/h5-7H,3-4H2,1-2H3,(H2,13,14,15).
What are the key properties of methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate?
methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-propyl-1H-pyrazol-3-yl)sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 115698302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).