5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid

C14H10FN3O4S2 — CID 71878330

IUPAC5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2c(F)cccc2-n2cccn2)c1
InChIInChI=1S/C14H10FN3O4S2/c15-10-3-1-4-11(18-6-2-5-16-18)13(10)17-24(21,22)12-7-9(8-23-12)14(19)20/h1-8,17H,(H,19,20)
InChIKeyUSZZBKRBDNJRHD-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.57
Rot. Bonds5

About 5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid

5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid (PubChem CID 71878330) has the molecular formula C14H10FN3O4S2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid
PubChem CID71878330
Molecular FormulaC14H10FN3O4S2
Molecular Weight367.38 g/mol
Exact Mass367.01
IUPAC Name5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid
SMILESO=C(O)c1csc(S(=O)(=O)Nc2c(F)cccc2-n2cccn2)c1
InChIInChI=1S/C14H10FN3O4S2/c15-10-3-1-4-11(18-6-2-5-16-18)13(10)17-24(21,22)12-7-9(8-23-12)14(19)20/h1-8,17H,(H,19,20)
InChIKeyUSZZBKRBDNJRHD-UHFFFAOYSA-N
XLogP2.57
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-Methyl-1-phenylpyrazol-3-yl)sulfamoyl]thiophene-3-carboxylic acid
CID 72139400
5-Methyl-4-[(4-methyl-1-phenylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 72139401
4-[(2-Fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]-5-methylthiophene-2-carboxylic acid
CID 72139406
5-[(3-Chloro-4-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid
CID 72147524
5-(3-phenyl-4-(4-sulfamoylbenzyl)-1H-pyrazol-1-yl)thiophene-3-carboxylic acid
CID 121457664
Methyl 3-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylate
CID 35955772
methyl 3-[[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]sulfamoyl]thiophene-2-carboxylate
CID 40042156
methyl 3-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]sulfamoyl]thiophene-2-carboxylate
CID 40042158
Methyl 3-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylsulfamoyl]thiophene-2-carboxylate
CID 42892389
5-[[2-Pyrrol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]thiophene-3-carboxylic acid
CID 56556507
3-Methyl-5-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]sulfamoyl]thiophene-2-carboxylic acid
CID 60531803
3-Methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 75452670

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The IUPAC name of 5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid (CID 71878330) is 5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The canonical SMILES for 5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid is O=C(O)c1csc(S(=O)(=O)Nc2c(F)cccc2-n2cccn2)c1.
What is the InChIKey of 5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
The InChIKey is USZZBKRBDNJRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O4S2/c15-10-3-1-4-11(18-6-2-5-16-18)13(10)17-24(21,22)12-7-9(8-23-12)14(19)20/h1-8,17H,(H,19,20).
What are the key properties of 5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid?
5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid has a molecular weight of 367.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-6-pyrazol-1-ylphenyl)sulfamoyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 71878330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).