1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid

C16H11F2N3O4S — CID 71875086

IUPAC1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C16H11F2N3O4S/c17-10-5-6-11(18)15(9-10)26(24,25)20-12-3-1-2-4-14(12)21-8-7-13(19-21)16(22)23/h1-9,20H,(H,22,23)
InChIKeyAHMVYGMHOBHCIM-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.65
Rot. Bonds5

About 1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid

1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid (PubChem CID 71875086) has the molecular formula C16H11F2N3O4S and a molecular weight of 379.34 g/mol. Its IUPAC name is 1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid
PubChem CID71875086
Molecular FormulaC16H11F2N3O4S
Molecular Weight379.34 g/mol
Exact Mass379.04
IUPAC Name1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1ccn(-c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)n1
InChIInChI=1S/C16H11F2N3O4S/c17-10-5-6-11(18)15(9-10)26(24,25)20-12-3-1-2-4-14(12)21-8-7-13(19-21)16(22)23/h1-9,20H,(H,22,23)
InChIKeyAHMVYGMHOBHCIM-UHFFFAOYSA-N
XLogP2.65
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-difluorophenyl)pyrazole-3-carboxylic acid
CID 43363474
2,5-difluoro-N-(2-hydroxyphenyl)benzenesulfonamide
CID 43090875
2,5-difluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 8841824
N-(2-chlorophenyl)-2,5-difluorobenzenesulfonamide
CID 9234601
1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 28974076
2,5-difluoro-N-[2-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 27301700
2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43236177
1-[2-(butanoylamino)phenyl]pyrazole-3-carboxylic acid
CID 167950435
1-[2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-fluorophenyl]pyrazole-3-carboxylic acid
CID 168581271
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid (CID 71875086) is 1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid is O=C(O)c1ccn(-c2ccccc2NS(=O)(=O)c2cc(F)ccc2F)n1.
What is the InChIKey of 1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid?
The InChIKey is AHMVYGMHOBHCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O4S/c17-10-5-6-11(18)15(9-10)26(24,25)20-12-3-1-2-4-14(12)21-8-7-13(19-21)16(22)23/h1-9,20H,(H,22,23).
What are the key properties of 1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid?
1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid has a molecular weight of 379.34 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,5-difluorophenyl)sulfonylamino]phenyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 71875086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).