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

C11H10N2O4S2 — CID 54907517

IUPAC5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccncc2)s1
InChIInChI=1S/C11H10N2O4S2/c14-11(15)9-1-2-10(18-9)19(16,17)13-7-8-3-5-12-6-4-8/h1-6,13H,7H2,(H,14,15)
InChIKeyXAMSZYMDUMCFRB-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.32
Rot. Bonds5

About 5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid

5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid (PubChem CID 54907517) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
PubChem CID54907517
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(S(=O)(=O)NCc2ccncc2)s1
InChIInChI=1S/C11H10N2O4S2/c14-11(15)9-1-2-10(18-9)19(16,17)13-7-8-3-5-12-6-4-8/h1-6,13H,7H2,(H,14,15)
InChIKeyXAMSZYMDUMCFRB-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

5-(1,3-thiazol-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 61283860
5-[(3-chlorophenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61026620
5-[(2-hydroxyphenyl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 114331354
5-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 106379579
5-[[(1R)-1-pyridin-4-ylethyl]sulfamoyl]thiophene-2-carboxylic acid
CID 81404136
5-[(2-methyl-1,3-thiazol-4-yl)methylsulfamoyl]thiophene-2-carboxylic acid
CID 61284002
5-(2-methylprop-2-enylsulfamoyl)thiophene-2-carboxylic acid
CID 114615365
3-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 17221138
5-[methyl(2-pyridin-4-ylethyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61027898
5-(2,3-dihydroxypropylsulfamoyl)thiophene-2-carboxylic acid
CID 66171444
5-[2-(4-chlorophenyl)ethylsulfamoyl]thiophene-2-carboxylic acid
CID 61027372
5-(2-pyrazol-1-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61462775

Frequently Asked Questions

What is the IUPAC name of 5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid (CID 54907517) is 5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(S(=O)(=O)NCc2ccncc2)s1.
What is the InChIKey of 5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
The InChIKey is XAMSZYMDUMCFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c14-11(15)9-1-2-10(18-9)19(16,17)13-7-8-3-5-12-6-4-8/h1-6,13H,7H2,(H,14,15).
What are the key properties of 5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid?
5-(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 5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 54907517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).