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

C10H8N4O4S2 — CID 43511174

IUPAC2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESN#Cc1ccsc1NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H8N4O4S2/c11-3-7-1-2-19-10(7)13-20(17,18)8-4-12-14(5-8)6-9(15)16/h1-2,4-5,13H,6H2,(H,15,16)
InChIKeyLXFHGOCXTZRDAQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP0.70
Rot. Bonds5

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

2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511174) has the molecular formula C10H8N4O4S2 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511174
Molecular FormulaC10H8N4O4S2
Molecular Weight312.33 g/mol
Exact Mass312.00
IUPAC Name2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESN#Cc1ccsc1NS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C10H8N4O4S2/c11-3-7-1-2-19-10(7)13-20(17,18)8-4-12-14(5-8)6-9(15)16/h1-2,4-5,13H,6H2,(H,15,16)
InChIKeyLXFHGOCXTZRDAQ-UHFFFAOYSA-N
XLogP0.70
TPSA125.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43511174) is 2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is N#Cc1ccsc1NS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is LXFHGOCXTZRDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4S2/c11-3-7-1-2-19-10(7)13-20(17,18)8-4-12-14(5-8)6-9(15)16/h1-2,4-5,13H,6H2,(H,15,16).
What are the key properties of 2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 312.33 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-cyanothiophen-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).