2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid

C11H13N3O4S2 — CID 43511168

IUPAC2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCN(Cc1cccs1)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H13N3O4S2/c1-13(6-9-3-2-4-19-9)20(17,18)10-5-12-14(7-10)8-11(15)16/h2-5,7H,6,8H2,1H3,(H,15,16)
InChIKeySDWQSISTZWRQEY-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.85
Rot. Bonds6

About 2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511168) has the molecular formula C11H13N3O4S2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511168
Molecular FormulaC11H13N3O4S2
Molecular Weight315.38 g/mol
Exact Mass315.03
IUPAC Name2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCN(Cc1cccs1)S(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C11H13N3O4S2/c1-13(6-9-3-2-4-19-9)20(17,18)10-5-12-14(7-10)8-11(15)16/h2-5,7H,6,8H2,1H3,(H,15,16)
InChIKeySDWQSISTZWRQEY-UHFFFAOYSA-N
XLogP0.85
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43511168) is 2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid is CN(Cc1cccs1)S(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is SDWQSISTZWRQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4S2/c1-13(6-9-3-2-4-19-9)20(17,18)10-5-12-14(7-10)8-11(15)16/h2-5,7H,6,8H2,1H3,(H,15,16).
What are the key properties of 2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 315.38 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[methyl(thiophen-2-ylmethyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).