5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid

C11H9ClN2O4S2 — CID 81098757

IUPAC5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C11H9ClN2O4S2/c12-9-3-4-10(19-9)20(17,18)14-6-7-1-2-8(11(15)16)13-5-7/h1-5,14H,6H2,(H,15,16)
InChIKeyJDVUHIOKKPRZAA-UHFFFAOYSA-N
MW332.79 g/mol
LogP1.97
Rot. Bonds5

About 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid

5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 81098757) has the molecular formula C11H9ClN2O4S2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
PubChem CID81098757
Molecular FormulaC11H9ClN2O4S2
Molecular Weight332.79 g/mol
Exact Mass331.97
IUPAC Name5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cn1
InChIInChI=1S/C11H9ClN2O4S2/c12-9-3-4-10(19-9)20(17,18)14-6-7-1-2-8(11(15)16)13-5-7/h1-5,14H,6H2,(H,15,16)
InChIKeyJDVUHIOKKPRZAA-UHFFFAOYSA-N
XLogP1.97
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]benzoic acid
CID 43235820
5-[(thiophen-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
CID 81100168
5-chloro-N-[(4-ethoxyphenyl)methyl]thiophene-2-sulfonamide
CID 110780906
5-chloro-N-(1,3-thiazol-4-ylmethyl)thiophene-2-sulfonamide
CID 110717389
5-chloro-N-[(1-methylpyrazol-4-yl)methyl]thiophene-2-sulfonamide
CID 22209337
5-chloro-N-[(2-hydroxyphenyl)methyl]thiophene-2-sulfonamide
CID 113317167
5-chloro-N-[(1-methylbenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785866
5-chloro-N-(1H-imidazol-2-ylmethyl)thiophene-2-sulfonamide
CID 64529732
N-[(1-benzylimidazol-2-yl)methyl]-5-chlorothiophene-2-sulfonamide
CID 75400421
5-chloro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]thiophene-2-sulfonamide
CID 110785314
5-[(2,3-dihydro-1H-inden-2-ylsulfonylamino)methyl]pyridine-2-carboxylic acid
CID 167756105
5-(pyridin-4-ylmethylsulfamoyl)thiophene-2-carboxylic acid
CID 54907517

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid (CID 81098757) is 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cn1.
What is the InChIKey of 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is JDVUHIOKKPRZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4S2/c12-9-3-4-10(19-9)20(17,18)14-6-7-1-2-8(11(15)16)13-5-7/h1-5,14H,6H2,(H,15,16).
What are the key properties of 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid?
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 332.79 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81098757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).