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

C17H15F2N3O3S — CID 23050811

IUPACN-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2c(F)cccc2F)C(c2ccccc2)C1
InChIInChI=1S/C17H15F2N3O3S/c1-11-10-15(12-6-3-2-4-7-12)22(20-11)17(23)21-26(24,25)16-13(18)8-5-9-14(16)19/h2-9,15H,10H2,1H3,(H,21,23)
InChIKeyPVBKLOYBXGTOAV-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.19
Rot. Bonds3

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

N-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 23050811) has the molecular formula C17H15F2N3O3S and a molecular weight of 379.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID23050811
Molecular FormulaC17H15F2N3O3S
Molecular Weight379.39 g/mol
Exact Mass379.08
IUPAC NameN-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)NS(=O)(=O)c2c(F)cccc2F)C(c2ccccc2)C1
InChIInChI=1S/C17H15F2N3O3S/c1-11-10-15(12-6-3-2-4-7-12)22(20-11)17(23)21-26(24,25)16-13(18)8-5-9-14(16)19/h2-9,15H,10H2,1H3,(H,21,23)
InChIKeyPVBKLOYBXGTOAV-UHFFFAOYSA-N
XLogP3.19
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.19
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-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide (CID 23050811) is N-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is CC1=NN(C(=O)NS(=O)(=O)c2c(F)cccc2F)C(c2ccccc2)C1.
What is the InChIKey of N-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is PVBKLOYBXGTOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3S/c1-11-10-15(12-6-3-2-4-7-12)22(20-11)17(23)21-26(24,25)16-13(18)8-5-9-14(16)19/h2-9,15H,10H2,1H3,(H,21,23).
What are the key properties of N-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide?
N-(2,6-difluorophenyl)sulfonyl-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 379.39 g/mol, XLogP of 3.19, 3 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-5-methyl-3-phenyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 23050811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).