N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide

C10H9F2N3O3S — CID 23050749

IUPACN-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1c(F)cccc1F)N1CCC=N1
InChIInChI=1S/C10H9F2N3O3S/c11-7-3-1-4-8(12)9(7)19(17,18)14-10(16)15-6-2-5-13-15/h1,3-5H,2,6H2,(H,14,16)
InChIKeyINHUWQPEKOADKG-UHFFFAOYSA-N
MW289.26 g/mol
LogP1.05
Rot. Bonds2

About N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide

N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050749) has the molecular formula C10H9F2N3O3S and a molecular weight of 289.26 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050749
Molecular FormulaC10H9F2N3O3S
Molecular Weight289.26 g/mol
Exact Mass289.03
IUPAC NameN-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
SMILESO=C(NS(=O)(=O)c1c(F)cccc1F)N1CCC=N1
InChIInChI=1S/C10H9F2N3O3S/c11-7-3-1-4-8(12)9(7)19(17,18)14-10(16)15-6-2-5-13-15/h1,3-5H,2,6H2,(H,14,16)
InChIKeyINHUWQPEKOADKG-UHFFFAOYSA-N
XLogP1.05
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
4-ethyl-N-(2-fluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050761
N-(2-fluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
CID 23050770
3-methyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050786
N-[2-(1,1,2,3,3,3-hexafluoropropylsulfanyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050788
N-(2,6-difluorophenyl)sulfonyl-5,5-dimethyl-4H-pyrazole-1-carboxamide
CID 23050806
3-ethyl-N-[2-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydropyrazole-2-carboxamide
CID 23050808
N-(2,6-difluorophenyl)sulfonyl-4-methyl-3,4-dihydropyrazole-2-carboxamide
CID 23050831
N-(2,6-difluorophenyl)sulfonyl-4-ethyl-3,4-dihydropyrazole-2-carboxamide
CID 23050836

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide (CID 23050749) is N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide is O=C(NS(=O)(=O)c1c(F)cccc1F)N1CCC=N1.
What is the InChIKey of N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is INHUWQPEKOADKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O3S/c11-7-3-1-4-8(12)9(7)19(17,18)14-10(16)15-6-2-5-13-15/h1,3-5H,2,6H2,(H,14,16).
What are the key properties of N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide?
N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 289.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)sulfonyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).