2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid

C11H12ClN3O4S2 — CID 43708748

IUPAC2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(NS(=O)(=O)c1cnn(CC(=O)O)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3O4S2/c1-7(9-2-3-10(12)20-9)14-21(18,19)8-4-13-15(5-8)6-11(16)17/h2-5,7,14H,6H2,1H3,(H,16,17)
InChIKeyPNZPQVFLTGFHGD-UHFFFAOYSA-N
MW349.82 g/mol
LogP1.72
Rot. Bonds6

About 2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43708748) has the molecular formula C11H12ClN3O4S2 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43708748
Molecular FormulaC11H12ClN3O4S2
Molecular Weight349.82 g/mol
Exact Mass349.00
IUPAC Name2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid
SMILESCC(NS(=O)(=O)c1cnn(CC(=O)O)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H12ClN3O4S2/c1-7(9-2-3-10(12)20-9)14-21(18,19)8-4-13-15(5-8)6-11(16)17/h2-5,7,14H,6H2,1H3,(H,16,17)
InChIKeyPNZPQVFLTGFHGD-UHFFFAOYSA-N
XLogP1.72
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid (CID 43708748) is 2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid is CC(NS(=O)(=O)c1cnn(CC(=O)O)c1)c1ccc(Cl)s1.
What is the InChIKey of 2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is PNZPQVFLTGFHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4S2/c1-7(9-2-3-10(12)20-9)14-21(18,19)8-4-13-15(5-8)6-11(16)17/h2-5,7,14H,6H2,1H3,(H,16,17).
What are the key properties of 2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 349.82 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(5-chlorothiophen-2-yl)ethylsulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43708748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).