2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid

C14H11F2N5O5S — CID 18983800

IUPAC2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid
SMILESCCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(F)cccc3C(=O)O)nn12
InChIInChI=1S/C14H11F2N5O5S/c1-2-26-14-17-9(16)6-10-18-13(19-21(10)14)27(24,25)20-11-7(12(22)23)4-3-5-8(11)15/h3-6,20H,2H2,1H3,(H,22,23)
InChIKeyHRVNHNIZKGVZCM-UHFFFAOYSA-N
MW399.34 g/mol
LogP1.30
Rot. Bonds6

About 2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid

2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid (PubChem CID 18983800) has the molecular formula C14H11F2N5O5S and a molecular weight of 399.34 g/mol. Its IUPAC name is 2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid
PubChem CID18983800
Molecular FormulaC14H11F2N5O5S
Molecular Weight399.34 g/mol
Exact Mass399.04
IUPAC Name2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid
SMILESCCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(F)cccc3C(=O)O)nn12
InChIInChI=1S/C14H11F2N5O5S/c1-2-26-14-17-9(16)6-10-18-13(19-21(10)14)27(24,25)20-11-7(12(22)23)4-3-5-8(11)15/h3-6,20H,2H2,1H3,(H,22,23)
InChIKeyHRVNHNIZKGVZCM-UHFFFAOYSA-N
XLogP1.30
TPSA135.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic 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-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoic acid
CID 141126411
5-ethoxy-7-fluoro-N-(7-fluoroquinolin-8-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 54178316
N-[2-chloro-6-(methoxymethyl)phenyl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 170406147
methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-5-hydroxybenzoate
CID 102509152
5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonic acid
CID 23303907
5-ethoxy-7-fluoro-N-(1-methylindazol-3-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 15239654
4-amino-3-chloro-6-(4-chloro-2-fluoro-3-methoxyphenyl)-5-fluoropyridine-2-carboxylic acid;methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]benzoate
CID 72722258
N-[4-(bromomethyl)-1H-pyrazol-5-yl]-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 57263325
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide;N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 121485133
(2,6-dichlorophenyl)-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonyl]azanide
CID 86309622
(2R)-2-amino-3-[[2-[(2-chloro-6-methoxycarbonylphenyl)sulfamoyl]-5-ethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]sulfanyl]propanoic acid
CID 10506407
3,6-dichloro-2-methoxybenzoic acid;N-(2,6-dichlorophenyl)-5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide;3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
CID 122424059

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid?
The IUPAC name of 2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid (CID 18983800) is 2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid.
What is the SMILES notation for 2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid?
The canonical SMILES for 2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid is CCOc1nc(F)cc2nc(S(=O)(=O)Nc3c(F)cccc3C(=O)O)nn12.
What is the InChIKey of 2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid?
The InChIKey is HRVNHNIZKGVZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N5O5S/c1-2-26-14-17-9(16)6-10-18-13(19-21(10)14)27(24,25)20-11-7(12(22)23)4-3-5-8(11)15/h3-6,20H,2H2,1H3,(H,22,23).
What are the key properties of 2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid?
2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid has a molecular weight of 399.34 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)sulfonylamino]-3-fluorobenzoic acid is sourced from PubChem (CID 18983800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).