5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid

C11H10N2O4S2 — CID 81100168

IUPAC5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C11H10N2O4S2/c14-11(15)9-4-3-8(6-12-9)7-13-19(16,17)10-2-1-5-18-10/h1-6,13H,7H2,(H,14,15)
InChIKeyHEFCCPSEZCYQPD-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.32
Rot. Bonds5

About 5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid

5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid (PubChem CID 81100168) has the molecular formula C11H10N2O4S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
PubChem CID81100168
Molecular FormulaC11H10N2O4S2
Molecular Weight298.35 g/mol
Exact Mass298.01
IUPAC Name5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2cccs2)cn1
InChIInChI=1S/C11H10N2O4S2/c14-11(15)9-4-3-8(6-12-9)7-13-19(16,17)10-2-1-5-18-10/h1-6,13H,7H2,(H,14,15)
InChIKeyHEFCCPSEZCYQPD-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-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81098757
5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
CID 167756105
N-[(3,4,5-trifluorophenyl)methyl]thiophene-2-sulfonamide
CID 3807214
N-[(4-pyrazol-1-ylphenyl)methyl]thiophene-2-sulfonamide
CID 22205170
2-hydroxy-3-(thiophen-2-ylsulfonylamino)propanoic acid
CID 66168152
N-[[3-(chloromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 65032752
N-[2-methoxy-5-[(thiophen-2-ylsulfonylamino)methyl]phenyl]acetamide
CID 110783971
N-[(1-methyl-6-oxo-3-pyridinyl)methyl]thiophene-2-sulfonamide
CID 110730606
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 3271736
5-[[[butyl(methyl)sulfamoyl]amino]methyl]pyridine-2-carboxylic acid
CID 81099217
N-(pyridin-4-ylmethyl)-2-(thiophen-2-ylsulfonylamino)acetamide
CID 112993206
5-[4-(thiophen-2-ylsulfonylamino)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122047696

Frequently Asked Questions

What is the IUPAC name of 5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid (CID 81100168) is 5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CNS(=O)(=O)c2cccs2)cn1.
What is the InChIKey of 5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid?
The InChIKey is HEFCCPSEZCYQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4S2/c14-11(15)9-4-3-8(6-12-9)7-13-19(16,17)10-2-1-5-18-10/h1-6,13H,7H2,(H,14,15).
What are the key properties of 5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid?
5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-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-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81100168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).