2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid

C11H13N3O4S2 — CID 29269488

IUPAC2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(CC(=O)O)s2)n(C)n1
InChIInChI=1S/C11H13N3O4S2/c1-7-5-9(14(2)12-7)13-20(17,18)11-4-3-8(19-11)6-10(15)16/h3-5,13H,6H2,1-2H3,(H,15,16)
InChIKeyGGQWXBPKGURWNP-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.22
Rot. Bonds5

About 2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 29269488) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID29269488
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCc1cc(NS(=O)(=O)c2ccc(CC(=O)O)s2)n(C)n1
InChIInChI=1S/C11H13N3O4S2/c1-7-5-9(14(2)12-7)13-20(17,18)11-4-3-8(19-11)6-10(15)16/h3-5,13H,6H2,1-2H3,(H,15,16)
InChIKeyGGQWXBPKGURWNP-UHFFFAOYSA-N
XLogP1.22
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid (CID 29269488) is 2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid is Cc1cc(NS(=O)(=O)c2ccc(CC(=O)O)s2)n(C)n1.
What is the InChIKey of 2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is GGQWXBPKGURWNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-7-5-9(14(2)12-7)13-20(17,18)11-4-3-8(19-11)6-10(15)16/h3-5,13H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 315.38 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-dimethylpyrazol-3-yl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 29269488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).