N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide

C12H14FN3O3S — CID 23050770

IUPACN-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
SMILESCC1(C)CC=NN1C(=O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H14FN3O3S/c1-12(2)7-8-14-16(12)11(17)15-20(18,19)10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyUAURAUAUJYTDON-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.69
Rot. Bonds2

About N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide

N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide (PubChem CID 23050770) has the molecular formula C12H14FN3O3S and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
PubChem CID23050770
Molecular FormulaC12H14FN3O3S
Molecular Weight299.33 g/mol
Exact Mass299.07
IUPAC NameN-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
SMILESCC1(C)CC=NN1C(=O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H14FN3O3S/c1-12(2)7-8-14-16(12)11(17)15-20(18,19)10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,15,17)
InChIKeyUAURAUAUJYTDON-UHFFFAOYSA-N
XLogP1.69
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Glipalamide
CID 65802
N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 21798368
N-(2,6-difluorophenyl)sulfonyl-3-methyl-3,4-dihydropyrazole-2-carboxamide
CID 23050737
N-(2-fluorophenyl)sulfonyl-5-methyl-3,4-dihydropyrazole-2-carboxamide
CID 23050742
N-(2-fluorophenyl)sulfonyl-3-propyl-3,4-dihydropyrazole-2-carboxamide
CID 23050744
1-(2,6-Difluorophenylsulphonylcarbamoyl)-2-pyrazoline
CID 23050749
4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050761
N-(2-fluorophenyl)sulfonyl-3,5,5-trimethyl-4H-pyrazole-1-carboxamide
CID 23050762
4-ethyl-3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050769
3-propyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050780
3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050786
N-(2,6-difluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
CID 23050806

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide (CID 23050770) is N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide is CC1(C)CC=NN1C(=O)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The InChIKey is UAURAUAUJYTDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O3S/c1-12(2)7-8-14-16(12)11(17)15-20(18,19)10-6-4-3-5-9(10)13/h3-6,8H,7H2,1-2H3,(H,15,17).
What are the key properties of N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide?
N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 23050770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).