4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid

C12H11ClN2O4S2 — CID 5263720

IUPAC4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid
SMILESCCN(c1ccnc(C(=O)O)c1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClN2O4S2/c1-2-15(8-5-6-14-9(7-8)12(16)17)21(18,19)11-4-3-10(13)20-11/h3-7H,2H2,1H3,(H,16,17)
InChIKeyHDJPAOYUOWWUFS-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.71
Rot. Bonds5

About 4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid

4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid (PubChem CID 5263720) has the molecular formula C12H11ClN2O4S2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid
PubChem CID5263720
Molecular FormulaC12H11ClN2O4S2
Molecular Weight346.82 g/mol
Exact Mass345.98
IUPAC Name4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid
SMILESCCN(c1ccnc(C(=O)O)c1)S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClN2O4S2/c1-2-15(8-5-6-14-9(7-8)12(16)17)21(18,19)11-4-3-10(13)20-11/h3-7H,2H2,1H3,(H,16,17)
InChIKeyHDJPAOYUOWWUFS-UHFFFAOYSA-N
XLogP2.71
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[ethyl(pyridin-4-yl)sulfamoyl]thiophen-2-yl]acetic acid
CID 104656493
5-[ethyl-(3-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 103223838
4-[ethyl(2,2,2-trifluoroethyl)amino]pyridine-2-carboxylic acid
CID 55009203
5-[[(5-chlorothiophen-2-yl)sulfonylamino]methyl]pyridine-2-carboxylic acid
CID 81098757
4-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboxylic acid
CID 63883391
4-(3-chloro-N-methylsulfonylanilino)pyridine-2-carboxylic acid
CID 160901776
5-[ethyl-(4-fluorophenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 45298932
4-[ethyl(pyridin-4-ylmethyl)amino]pyridine-2-carboxylic acid
CID 61449371
N-(4-aminophenyl)-5-chloro-N-propylthiophene-2-sulfonamide
CID 63233810
5-bromo-N-ethyl-4-methyl-N-pyridin-4-ylthiophene-2-sulfonamide
CID 103768575
5-chloro-N-pyrimidin-2-ylthiophene-2-sulfonamide
CID 19683573
5-chloro-N-phenyl-N-(pyridin-3-ylmethyl)thiophene-2-sulfonamide
CID 110360283

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid (CID 5263720) is 4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid is CCN(c1ccnc(C(=O)O)c1)S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid?
The InChIKey is HDJPAOYUOWWUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4S2/c1-2-15(8-5-6-14-9(7-8)12(16)17)21(18,19)11-4-3-10(13)20-11/h3-7H,2H2,1H3,(H,16,17).
What are the key properties of 4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid?
4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid has a molecular weight of 346.82 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)sulfonyl-ethylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 5263720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).