3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid

C11H10N4O4S2 — CID 43513676

IUPAC3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESN#Cc1ccsc1NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C11H10N4O4S2/c12-5-8-2-4-20-11(8)14-21(18,19)9-6-13-15(7-9)3-1-10(16)17/h2,4,6-7,14H,1,3H2,(H,16,17)
InChIKeyDYXNSBUIEUTLJA-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.09
Rot. Bonds6

About 3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43513676) has the molecular formula C11H10N4O4S2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43513676
Molecular FormulaC11H10N4O4S2
Molecular Weight326.36 g/mol
Exact Mass326.01
IUPAC Name3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESN#Cc1ccsc1NS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C11H10N4O4S2/c12-5-8-2-4-20-11(8)14-21(18,19)9-6-13-15(7-9)3-1-10(16)17/h2,4,6-7,14H,1,3H2,(H,16,17)
InChIKeyDYXNSBUIEUTLJA-UHFFFAOYSA-N
XLogP1.09
TPSA125.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 43513676) is 3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid is N#Cc1ccsc1NS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is DYXNSBUIEUTLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4S2/c12-5-8-2-4-20-11(8)14-21(18,19)9-6-13-15(7-9)3-1-10(16)17/h2,4,6-7,14H,1,3H2,(H,16,17).
What are the key properties of 3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 326.36 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).