3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

C10H7F2N3O4S — CID 64526713

IUPAC3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2c(F)cccc2F)n[nH]1
InChIInChI=1S/C10H7F2N3O4S/c11-5-2-1-3-6(12)9(5)20(18,19)15-8-4-7(10(16)17)13-14-8/h1-4H,(H,16,17)(H2,13,14,15)
InChIKeyFGKIWPSCOYUUTM-UHFFFAOYSA-N
MW303.25 g/mol
LogP1.19
Rot. Bonds4

About 3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid

3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (PubChem CID 64526713) has the molecular formula C10H7F2N3O4S and a molecular weight of 303.25 g/mol. Its IUPAC name is 3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
PubChem CID64526713
Molecular FormulaC10H7F2N3O4S
Molecular Weight303.25 g/mol
Exact Mass303.01
IUPAC Name3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)c2c(F)cccc2F)n[nH]1
InChIInChI=1S/C10H7F2N3O4S/c11-5-2-1-3-6(12)9(5)20(18,19)15-8-4-7(10(16)17)13-14-8/h1-4H,(H,16,17)(H2,13,14,15)
InChIKeyFGKIWPSCOYUUTM-UHFFFAOYSA-N
XLogP1.19
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527883
2,6-difluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzenesulfonamide
CID 115686449
3-(methanesulfonamido)-1H-pyrazole-5-carboxylic acid
CID 64527301
3-[(3,5-dichlorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527691
3-[(2,3-difluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid
CID 19624686
3-[(5-methylthiophen-2-yl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64528858
3-[(4-propan-2-ylphenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 64527885
3-[(2,6-dimethoxyphenyl)sulfonylamino]-1H-pyrazole-5-carboxamide
CID 167818865
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861
2-amino-6-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzenesulfonamide
CID 104616823
3-[[4-(cyanomethyl)phenyl]sulfonylamino]-1H-pyrazole-5-carboxylic acid
CID 79184901
3-[(4-fluorophenyl)methylamino]-1H-pyrazole-5-carboxylic acid
CID 19624681

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid (CID 64526713) is 3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)c2c(F)cccc2F)n[nH]1.
What is the InChIKey of 3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
The InChIKey is FGKIWPSCOYUUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2N3O4S/c11-5-2-1-3-6(12)9(5)20(18,19)15-8-4-7(10(16)17)13-14-8/h1-4H,(H,16,17)(H2,13,14,15).
What are the key properties of 3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid?
3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid has a molecular weight of 303.25 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluorophenyl)sulfonylamino]-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64526713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).