4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

C16H15N3O5S — CID 113229970

IUPAC4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H15N3O5S/c1-11-15(7-14(24-11)16(20)21)25(22,23)18-13-8-17-19(10-13)9-12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3,(H,20,21)
InChIKeyZVXPZBLJIHWPHB-UHFFFAOYSA-N
MW361.38 g/mol
LogP2.33
Rot. Bonds6

About 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid

4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (PubChem CID 113229970) has the molecular formula C16H15N3O5S and a molecular weight of 361.38 g/mol. Its IUPAC name is 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
PubChem CID113229970
Molecular FormulaC16H15N3O5S
Molecular Weight361.38 g/mol
Exact Mass361.07
IUPAC Name4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid
SMILESCc1oc(C(=O)O)cc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C16H15N3O5S/c1-11-15(7-14(24-11)16(20)21)25(22,23)18-13-8-17-19(10-13)9-12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3,(H,20,21)
InChIKeyZVXPZBLJIHWPHB-UHFFFAOYSA-N
XLogP2.33
TPSA114.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-bromofuran-2-carboxylic acid
CID 167971932
N-(1-benzylpyrazol-4-yl)-2-bromo-4-methylbenzenesulfonamide
CID 60534307
5-methyl-4-[(1-propan-2-ylpyrazol-4-yl)sulfamoyl]furan-2-carboxylic acid
CID 62902663
3-amino-N-(1-benzylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 113226024
N-(1-benzylpyrazol-4-yl)-2-chlorobenzenesulfonamide
CID 60534309
4-[[4-(hydroxymethyl)phenyl]sulfamoyl]-5-methylfuran-2-carboxylic acid
CID 115778042
N-(1-benzylpyrazol-4-yl)propane-1-sulfonamide
CID 61061450
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-sulfonamide
CID 3461470
methyl 5-[(1-benzylpyrazol-4-yl)sulfamoyl]-2-bromobenzoate
CID 60549403
N-(1-benzylpyrazol-4-yl)-1-bromomethanesulfonamide
CID 83092889
N-(1-benzylpyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 60933913

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The IUPAC name of 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid (CID 113229970) is 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid.
What is the SMILES notation for 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The canonical SMILES for 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is Cc1oc(C(=O)O)cc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
The InChIKey is ZVXPZBLJIHWPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S/c1-11-15(7-14(24-11)16(20)21)25(22,23)18-13-8-17-19(10-13)9-12-5-3-2-4-6-12/h2-8,10,18H,9H2,1H3,(H,20,21).
What are the key properties of 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid?
4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid has a molecular weight of 361.38 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpyrazol-4-yl)sulfamoyl]-5-methylfuran-2-carboxylic acid is sourced from PubChem (CID 113229970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).