2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid

C11H13N3O4S2 — CID 43511050

IUPAC2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCCc2cccs2)cn1
InChIInChI=1S/C11H13N3O4S2/c15-11(16)8-14-7-10(6-12-14)20(17,18)13-4-3-9-2-1-5-19-9/h1-2,5-7,13H,3-4,8H2,(H,15,16)
InChIKeyXXBKMPNYGZCOFB-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.55
Rot. Bonds7

About 2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid

2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 43511050) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID43511050
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCCc2cccs2)cn1
InChIInChI=1S/C11H13N3O4S2/c15-11(16)8-14-7-10(6-12-14)20(17,18)13-4-3-9-2-1-5-19-9/h1-2,5-7,13H,3-4,8H2,(H,15,16)
InChIKeyXXBKMPNYGZCOFB-UHFFFAOYSA-N
XLogP0.55
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid (CID 43511050) is 2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)NCCc2cccs2)cn1.
What is the InChIKey of 2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is XXBKMPNYGZCOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c15-11(16)8-14-7-10(6-12-14)20(17,18)13-4-3-9-2-1-5-19-9/h1-2,5-7,13H,3-4,8H2,(H,15,16).
What are the key properties of 2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 315.38 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-thiophen-2-ylethylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).