5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid

C14H13ClN2O4S — CID 5263641

IUPAC5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid
SMILESCCN(c1cncc(C(=O)O)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O4S/c1-2-17(12-7-10(14(18)19)8-16-9-12)22(20,21)13-5-3-11(15)4-6-13/h3-9H,2H2,1H3,(H,18,19)
InChIKeyVGUSJBQNZWOFFB-UHFFFAOYSA-N
MW340.79 g/mol
LogP2.65
Rot. Bonds5

About 5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid

5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid (PubChem CID 5263641) has the molecular formula C14H13ClN2O4S and a molecular weight of 340.79 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid
PubChem CID5263641
Molecular FormulaC14H13ClN2O4S
Molecular Weight340.79 g/mol
Exact Mass340.03
IUPAC Name5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid
SMILESCCN(c1cncc(C(=O)O)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O4S/c1-2-17(12-7-10(14(18)19)8-16-9-12)22(20,21)13-5-3-11(15)4-6-13/h3-9H,2H2,1H3,(H,18,19)
InChIKeyVGUSJBQNZWOFFB-UHFFFAOYSA-N
XLogP2.65
TPSA87.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.79
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chlorophenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 86258856
3,4-dichloro-N-ethyl-N-phenylbenzenesulfonamide
CID 2234505
5-ethylsulfonylpyridine-3-carboxylic acid
CID 4738597
4-[(2-chloro-5-sulfamoylphenyl)sulfonyl-ethylamino]benzoic acid
CID 166391621
3-chloro-N-ethyl-4-methyl-N-phenylbenzenesulfonamide
CID 3859745
1-(3-chlorophenyl)-3-[4-[ethyl(phenyl)sulfamoyl]phenyl]urea
CID 1226694
N-ethyl-4-(methylamino)-N-pyridin-4-ylbenzenesulfonamide
CID 106936356
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 4-[ethyl(phenyl)sulfamoyl]benzoate
CID 135729934
N-ethyl-N-phenyl-4-(4-pyridin-4-ylpiperazine-1-carbonyl)benzenesulfonamide
CID 31565674
6-chloro-N-ethyl-N-pyridin-4-ylpyridine-3-sulfonamide
CID 113258214
3-chloro-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 28534252
6-[benzenesulfonyl-[(4-chlorophenyl)methyl]amino]pyridine-3-carboxylic acid
CID 70829040

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid (CID 5263641) is 5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid is CCN(c1cncc(C(=O)O)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid?
The InChIKey is VGUSJBQNZWOFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4S/c1-2-17(12-7-10(14(18)19)8-16-9-12)22(20,21)13-5-3-11(15)4-6-13/h3-9H,2H2,1H3,(H,18,19).
What are the key properties of 5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid?
5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid has a molecular weight of 340.79 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)sulfonyl-ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 5263641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).