N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide

C12H13F2N3O3S — CID 23050900

IUPACN-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2c(F)cccc2F)C(C)C1
InChIInChI=1S/C12H13F2N3O3S/c1-7-6-8(2)17(15-7)12(18)16-21(19,20)11-9(13)4-3-5-10(11)14/h3-5,8H,6H2,1-2H3,(H,16,18)
InChIKeyJCPWBTGCBFDQMD-UHFFFAOYSA-N
MW317.32 g/mol
LogP1.83
Rot. Bonds2

About N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide

N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050900) has the molecular formula C12H13F2N3O3S and a molecular weight of 317.32 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050900
Molecular FormulaC12H13F2N3O3S
Molecular Weight317.32 g/mol
Exact Mass317.06
IUPAC NameN-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2c(F)cccc2F)C(C)C1
InChIInChI=1S/C12H13F2N3O3S/c1-7-6-8(2)17(15-7)12(18)16-21(19,20)11-9(13)4-3-5-10(11)14/h3-5,8H,6H2,1-2H3,(H,16,18)
InChIKeyJCPWBTGCBFDQMD-UHFFFAOYSA-N
XLogP1.83
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide (CID 23050900) is N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide is CC1=NN(C(=O)NS(=O)(=O)c2c(F)cccc2F)C(C)C1.
What is the InChIKey of N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is JCPWBTGCBFDQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O3S/c1-7-6-8(2)17(15-7)12(18)16-21(19,20)11-9(13)4-3-5-10(11)14/h3-5,8H,6H2,1-2H3,(H,16,18).
What are the key properties of N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide?
N-(2,6-difluorophenyl)sulfonyl-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 317.32 g/mol, XLogP of 1.83, 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-3,5-dimethyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).