2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid

C26H22FN3O4S — CID 53024621

IUPAC2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccc(F)c2)cnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H22FN3O4S/c27-21-12-7-13-23(14-21)35(33,34)29-22-15-24(26(31)32)25(28-16-22)30(17-19-8-3-1-4-9-19)18-20-10-5-2-6-11-20/h1-16,29H,17-18H2,(H,31,32)
InChIKeyRUOPMUJTPZPTQE-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.93
Rot. Bonds9

About 2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid

2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 53024621) has the molecular formula C26H22FN3O4S and a molecular weight of 491.54 g/mol. Its IUPAC name is 2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID53024621
Molecular FormulaC26H22FN3O4S
Molecular Weight491.54 g/mol
Exact Mass491.13
IUPAC Name2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2cccc(F)c2)cnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H22FN3O4S/c27-21-12-7-13-23(14-21)35(33,34)29-22-15-24(26(31)32)25(28-16-22)30(17-19-8-3-1-4-9-19)18-20-10-5-2-6-11-20/h1-16,29H,17-18H2,(H,31,32)
InChIKeyRUOPMUJTPZPTQE-UHFFFAOYSA-N
XLogP4.93
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]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

2-(1-Azepanyl)-5-{[(4-fluorophenyl)sulfonyl]amino}nicotinic acid
CID 53024664
5-[(2-Methylphenyl)sulfonylamino]-2-piperidin-1-ylpyridine-3-carboxylic acid
CID 118727245
Methyl 2-[4-[(3,4-difluorophenyl)sulfonylamino]anilino]pyridine-3-carboxylate
CID 24247434
6-[Benzenesulfonyl-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)amino]pyridine-3-carboxylic acid
CID 44571532
2-[4-(Ethoxycarbonyl)piperidin-1-yl]-5-(4-methylbenzenesulfonamido)pyridine-3-carboxylic acid
CID 50766391
2-(4-Ethoxycarbonylpiperidin-1-yl)-5-[(2-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 50766392
2-[Butyl(methyl)amino]-5-{[(2-methylphenyl)sulfonyl]amino}nicotinic acid
CID 53024548
5-Benzenesulfonamido-2-[4-(ethoxycarbonyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53024647
5-[4-(Propan-2-YL)benzenesulfonamido]-2-(pyrrolidin-1-YL)pyridine-3-carboxylic acid
CID 53024699
5'-(2,4-Dimethylbenzenesulfonamido)-4-(2-methylphenyl)-3,6-dihydro-2H-[1,2'-bipyridine]-3'-carboxylic acid
CID 53024899
4-(2-Methylphenyl)-5'-[4-(propan-2-YL)benzenesulfonamido]-3,6-dihydro-2H-[1,2'-bipyridine]-3'-carboxylic acid
CID 53024901
5-{[(2,4-Dimethylphenyl)sulfonyl]amino}-2-(1-pyrrolidinyl)nicotinic acid
CID 53056667

Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 53024621) is 2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)c2cccc(F)c2)cnc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is RUOPMUJTPZPTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O4S/c27-21-12-7-13-23(14-21)35(33,34)29-22-15-24(26(31)32)25(28-16-22)30(17-19-8-3-1-4-9-19)18-20-10-5-2-6-11-20/h1-16,29H,17-18H2,(H,31,32).
What are the key properties of 2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 491.54 g/mol, XLogP of 4.93, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibenzylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53024621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).