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

C11H8N2O4S3 — CID 43362142

IUPAC2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESN#Cc1ccsc1NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H8N2O4S3/c12-6-7-3-4-18-11(7)13-20(16,17)10-2-1-8(19-10)5-9(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyPYIUKGJSILHIJQ-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.11
Rot. Bonds5

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

2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid (PubChem CID 43362142) has the molecular formula C11H8N2O4S3 and a molecular weight of 328.40 g/mol. Its IUPAC name is 2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
PubChem CID43362142
Molecular FormulaC11H8N2O4S3
Molecular Weight328.40 g/mol
Exact Mass327.96
IUPAC Name2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
SMILESN#Cc1ccsc1NS(=O)(=O)c1ccc(CC(=O)O)s1
InChIInChI=1S/C11H8N2O4S3/c12-6-7-3-4-18-11(7)13-20(16,17)10-2-1-8(19-10)5-9(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyPYIUKGJSILHIJQ-UHFFFAOYSA-N
XLogP2.11
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29267010
2-[5-(1,2-oxazol-3-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 60681193
2-amino-4-cyano-N-(3-cyanothiophen-2-yl)benzenesulfonamide
CID 64899347
3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747957
2-[5-(6-hydroxyhexylsulfamoyl)thiophen-2-yl]acetic acid
CID 107847683
2-[5-(4-hydroxybutan-2-ylsulfamoyl)thiophen-2-yl]acetic acid
CID 83177239
2-[5-[(5-fluoro-2-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 65479671
3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide
CID 61252023
2-[5-[(4-bromo-2-chlorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 43237086
2-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 29080256
2-[5-[(3-fluoro-4-pyridinyl)sulfamoyl]thiophen-2-yl]acetic acid
CID 107594798
2-[5-[[2-(hydroxymethyl)cyclopentyl]sulfamoyl]thiophen-2-yl]acetic acid
CID 106359332

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The IUPAC name of 2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid (CID 43362142) is 2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid.
What is the SMILES notation for 2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The canonical SMILES for 2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid is N#Cc1ccsc1NS(=O)(=O)c1ccc(CC(=O)O)s1.
What is the InChIKey of 2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
The InChIKey is PYIUKGJSILHIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O4S3/c12-6-7-3-4-18-11(7)13-20(16,17)10-2-1-8(19-10)5-9(14)15/h1-4,13H,5H2,(H,14,15).
What are the key properties of 2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid?
2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid has a molecular weight of 328.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-cyanothiophen-2-yl)sulfamoyl]thiophen-2-yl]acetic acid is sourced from PubChem (CID 43362142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).