2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid

C26H22FN3O4S — CID 53001977

IUPAC2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H22FN3O4S/c27-21-11-13-23(14-12-21)35(33,34)29-22-15-24(26(31)32)25(28-16-22)30(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-16,29H,17-18H2,(H,31,32)
InChIKeyLLFGNGJHBGCJRS-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.93
Rot. Bonds9

About 2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid

2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 53001977) has the molecular formula C26H22FN3O4S and a molecular weight of 491.54 g/mol. Its IUPAC name is 2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID53001977
Molecular FormulaC26H22FN3O4S
Molecular Weight491.54 g/mol
Exact Mass491.13
IUPAC Name2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H22FN3O4S/c27-21-11-13-23(14-12-21)35(33,34)29-22-15-24(26(31)32)25(28-16-22)30(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-16,29H,17-18H2,(H,31,32)
InChIKeyLLFGNGJHBGCJRS-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

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Frequently Asked Questions

What is the IUPAC name of 2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 53001977) is 2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)c2ccc(F)cc2)cnc1N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is LLFGNGJHBGCJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O4S/c27-21-11-13-23(14-12-21)35(33,34)29-22-15-24(26(31)32)25(28-16-22)30(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-16,29H,17-18H2,(H,31,32).
What are the key properties of 2-(dibenzylamino)-5-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-(dibenzylamino)-5-[(4-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-[(4-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53001977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).