2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid

C11H13N3O4S2 — CID 43547665

IUPAC2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H13N3O4S2/c1-6-11(7(2)13-12-6)14-20(17,18)10-4-3-8(19-10)5-9(15)16/h3-4,14H,5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyKATWRIZNCKOAJZ-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.52
Rot. Bonds5

About 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid

2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 43547665) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID43547665
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESCc1n[nH]c(C)c1NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H13N3O4S2/c1-6-11(7(2)13-12-6)14-20(17,18)10-4-3-8(19-10)5-9(15)16/h3-4,14H,5H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyKATWRIZNCKOAJZ-UHFFFAOYSA-N
XLogP1.52
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid (CID 43547665) is 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid is Cc1n[nH]c(C)c1NS(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is KATWRIZNCKOAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-6-11(7(2)13-12-6)14-20(17,18)10-4-3-8(19-10)5-9(15)16/h3-4,14H,5H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 315.38 g/mol, XLogP of 1.52, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 43547665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).