5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid

C18H22F2N4O4S — CID 53056671

IUPAC5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid
SMILESCCN(CCN(C)C)c1ncc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)O
InChIInChI=1S/C18H22F2N4O4S/c1-4-24(8-7-23(2)3)17-14(18(25)26)9-12(11-21-17)22-29(27,28)13-5-6-15(19)16(20)10-13/h5-6,9-11,22H,4,7-8H2,1-3H3,(H,25,26)
InChIKeyJQELYAGYBCWCHB-UHFFFAOYSA-N
MW428.46 g/mol
LogP2.25
Rot. Bonds9

About 5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid

5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid (PubChem CID 53056671) has the molecular formula C18H22F2N4O4S and a molecular weight of 428.46 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid
PubChem CID53056671
Molecular FormulaC18H22F2N4O4S
Molecular Weight428.46 g/mol
Exact Mass428.13
IUPAC Name5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid
SMILESCCN(CCN(C)C)c1ncc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)O
InChIInChI=1S/C18H22F2N4O4S/c1-4-24(8-7-23(2)3)17-14(18(25)26)9-12(11-21-17)22-29(27,28)13-5-6-15(19)16(20)10-13/h5-6,9-11,22H,4,7-8H2,1-3H3,(H,25,26)
InChIKeyJQELYAGYBCWCHB-UHFFFAOYSA-N
XLogP2.25
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-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

2-[2-(dimethylamino)ethyl-ethylamino]-5-[(4-methoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054565
2-[2-(dimethylamino)ethyl-ethylamino]-5-(ethylsulfonylamino)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146071246
2-[2-(dimethylamino)ethyl-ethylamino]-5-(thiophen-2-ylsulfonylamino)pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054576
2-[butyl(ethyl)amino]-5-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)pyridine-3-carboxylic acid
CID 53024726
2-[butyl(ethyl)amino]-5-[(4-ethoxyphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 53024735
5-[(4-bromophenyl)sulfonylamino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054591
2-[butyl(ethyl)amino]-5-[(3,5-dimethylphenyl)sulfonylamino]pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 146054615
5-[(4-acetylphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
CID 53056657
2-(diethylamino)-5-[(3,4-difluorophenyl)sulfonylamino]benzoic acid;2,2,2-trifluoroacetic acid
CID 146055375
2-(dimethylamino)-5-[(3-fluorophenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 50766388
2-[benzyl(ethyl)amino]-5-[(3,4-difluorophenyl)sulfonylamino]benzoic acid
CID 50766424
5-[(3-chloro-4-methoxyphenyl)sulfonylamino]-2-(dipropylamino)pyridine-3-carboxylic acid
CID 53024633

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid (CID 53056671) is 5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid is CCN(CCN(C)C)c1ncc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1C(=O)O.
What is the InChIKey of 5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid?
The InChIKey is JQELYAGYBCWCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4O4S/c1-4-24(8-7-23(2)3)17-14(18(25)26)9-12(11-21-17)22-29(27,28)13-5-6-15(19)16(20)10-13/h5-6,9-11,22H,4,7-8H2,1-3H3,(H,25,26).
What are the key properties of 5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid?
5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid has a molecular weight of 428.46 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)sulfonylamino]-2-[2-(dimethylamino)ethyl-ethylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 53056671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).