2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid

C11H9F2N3O4S — CID 60712743

IUPAC2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCn1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2F)n1
InChIInChI=1S/C11H9F2N3O4S/c1-16-5-4-8(14-16)15-21(19,20)7-3-2-6(12)9(10(7)13)11(17)18/h2-5H,1H3,(H,14,15)(H,17,18)
InChIKeyUHJGDBQYURPLRQ-UHFFFAOYSA-N
MW317.27 g/mol
LogP1.20
Rot. Bonds4

About 2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid

2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid (PubChem CID 60712743) has the molecular formula C11H9F2N3O4S and a molecular weight of 317.27 g/mol. Its IUPAC name is 2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
PubChem CID60712743
Molecular FormulaC11H9F2N3O4S
Molecular Weight317.27 g/mol
Exact Mass317.03
IUPAC Name2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
SMILESCn1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2F)n1
InChIInChI=1S/C11H9F2N3O4S/c1-16-5-4-8(14-16)15-21(19,20)7-3-2-6(12)9(10(7)13)11(17)18/h2-5H,1H3,(H,14,15)(H,17,18)
InChIKeyUHJGDBQYURPLRQ-UHFFFAOYSA-N
XLogP1.20
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.27
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-fluoro-N-(1-methylpyrazol-3-yl)quinoline-5-sulfonamide
CID 31914993
2,4-dichloro-5-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid
CID 60703802
2,6-difluoro-3-(thiadiazol-5-ylsulfamoyl)benzoic acid
CID 114911881
5-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934269
1-methyl-3-(sulfamoylamino)pyrazole
CID 112573559
2,3,4,5,6-pentamethyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 22209061
3,5-dimethyl-4-[(1-methylpyrazol-3-yl)sulfamoyl]-1H-pyrrole-2-carboxylic acid
CID 81423518
3-chlorosulfonyl-2,6-difluorobenzoic acid
CID 3304796
2,6-difluoro-3-[3-(methylamino)propylsulfamoyl]benzoic acid
CID 61404116
3-methyl-5-[(1-methylpyrazol-3-yl)sulfamoyl]thiophene-2-carboxylic acid
CID 54920333
2,6-difluoro-3-(prop-2-enylsulfamoyl)benzoic acid
CID 30054012
3-amino-5-chloro-2-methyl-N-(1-methylpyrazol-3-yl)benzenesulfonamide
CID 114379018

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid (CID 60712743) is 2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid is Cn1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)O)c2F)n1.
What is the InChIKey of 2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
The InChIKey is UHJGDBQYURPLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O4S/c1-16-5-4-8(14-16)15-21(19,20)7-3-2-6(12)9(10(7)13)11(17)18/h2-5H,1H3,(H,14,15)(H,17,18).
What are the key properties of 2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid?
2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid has a molecular weight of 317.27 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(1-methylpyrazol-3-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 60712743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).