3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid

C11H10N2O4S2 — CID 17221138

IUPAC3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C11H10N2O4S2/c14-11(15)10-9(3-6-18-10)19(16,17)13-7-8-1-4-12-5-2-8/h1-6,13H,7H2,(H,14,15)
InChIKeyMASQQIBCNPIYGN-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.32
Rot. Bonds5

About 3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid

3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 17221138) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID17221138
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)NCc1ccncc1
InChIInChI=1S/C11H10N2O4S2/c14-11(15)10-9(3-6-18-10)19(16,17)13-7-8-1-4-12-5-2-8/h1-6,13H,7H2,(H,14,15)
InChIKeyMASQQIBCNPIYGN-UHFFFAOYSA-N
XLogP1.32
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylaminomethyl)-N-(pyridin-4-ylmethyl)thiophene-3-sulfonamide
CID 106030940
3-(2,2-dimethylpropylsulfamoyl)thiophene-2-carboxylic acid
CID 61167041
3-[[(1S)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 51681297
3-[(6-methyl-2-pyridinyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61059093
3-(hydroxysulfamoyl)thiophene-2-carboxylic acid
CID 115279685
3-(butylsulfamoyl)thiophene-2-carboxylic acid
CID 17221125
3-(dimethylaminosulfamoyl)thiophene-2-carboxylic acid
CID 83004979
5-methyl-4-(pyridin-4-ylmethylsulfamoyl)furan-2-carboxylic acid
CID 62804132
3-(2,2,3,3-tetrafluoropropylsulfamoyl)thiophene-2-carboxylic acid
CID 114169173
3-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106032772
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517
3-(5-hydroxypentylsulfamoyl)thiophene-2-carboxylic acid
CID 107316565

Frequently Asked Questions

What is the IUPAC name of 3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid (CID 17221138) is 3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)NCc1ccncc1.
What is the InChIKey of 3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is MASQQIBCNPIYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c14-11(15)10-9(3-6-18-10)19(16,17)13-7-8-1-4-12-5-2-8/h1-6,13H,7H2,(H,14,15).
What are the key properties of 3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 17221138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).