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

C14H14FN3O4S — CID 50766388

IUPAC2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCN(C)c1ncc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)O
InChIInChI=1S/C14H14FN3O4S/c1-18(2)13-12(14(19)20)7-10(8-16-13)17-23(21,22)11-5-3-4-9(15)6-11/h3-8,17H,1-2H3,(H,19,20)
InChIKeyCZDHNXVVYLGYCY-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.79
Rot. Bonds5

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

2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid (PubChem CID 50766388) has the molecular formula C14H14FN3O4S and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
PubChem CID50766388
Molecular FormulaC14H14FN3O4S
Molecular Weight339.35 g/mol
Exact Mass339.07
IUPAC Name2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
SMILESCN(C)c1ncc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)O
InChIInChI=1S/C14H14FN3O4S/c1-18(2)13-12(14(19)20)7-10(8-16-13)17-23(21,22)11-5-3-4-9(15)6-11/h3-8,17H,1-2H3,(H,19,20)
InChIKeyCZDHNXVVYLGYCY-UHFFFAOYSA-N
XLogP1.79
TPSA99.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[benzyl(methyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024612
5-[(4-acetylphenyl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid
CID 53056717
5-[(3-fluorophenyl)sulfonylamino]-2-[methyl-[(5-methyl-2-propylpyrazol-3-yl)methyl]amino]pyridine-3-carboxylic acid
CID 53024971
2-[benzyl(butyl)amino]-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054681
2-chloro-5-[(3-fluorophenyl)sulfonylamino]benzoic acid
CID 51118457
2-(dimethylamino)-5-[(2,4,5-trimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53056716
5-[(5-bromothiophen-2-yl)sulfonylamino]-2-(dimethylamino)pyridine-3-carboxylic acid
CID 53024854
5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid
CID 53056671
N-(6-chloro-5-methyl-3-pyridinyl)-3-fluorobenzenesulfonamide
CID 113253371
5-[(3-fluorophenyl)sulfonylamino]-2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 92746316
2-[benzyl(ethyl)amino]-5-[(3-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054311
5-[(3-fluorophenyl)sulfonylamino]-2-[3-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 53024932

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The IUPAC name of 2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid (CID 50766388) is 2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid is CN(C)c1ncc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)O.
What is the InChIKey of 2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
The InChIKey is CZDHNXVVYLGYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O4S/c1-18(2)13-12(14(19)20)7-10(8-16-13)17-23(21,22)11-5-3-4-9(15)6-11/h3-8,17H,1-2H3,(H,19,20).
What are the key properties of 2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid?
2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid has a molecular weight of 339.35 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 50766388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).