N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide

C12H10F2N4O2S — CID 75448897

IUPACN-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)Cc2ccc(F)cc2F)c1C#N
InChIInChI=1S/C12H10F2N4O2S/c1-7-10(5-15)12(17-16-7)18-21(19,20)6-8-2-3-9(13)4-11(8)14/h2-4H,6H2,1H3,(H2,16,17,18)
InChIKeyAPHVMKMEIUYBTD-UHFFFAOYSA-N
MW312.30 g/mol
LogP1.81
Rot. Bonds4

About N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide

N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide (PubChem CID 75448897) has the molecular formula C12H10F2N4O2S and a molecular weight of 312.30 g/mol. Its IUPAC name is N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide
PubChem CID75448897
Molecular FormulaC12H10F2N4O2S
Molecular Weight312.30 g/mol
Exact Mass312.05
IUPAC NameN-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide
SMILESCc1[nH]nc(NS(=O)(=O)Cc2ccc(F)cc2F)c1C#N
InChIInChI=1S/C12H10F2N4O2S/c1-7-10(5-15)12(17-16-7)18-21(19,20)6-8-2-3-9(13)4-11(8)14/h2-4H,6H2,1H3,(H2,16,17,18)
InChIKeyAPHVMKMEIUYBTD-UHFFFAOYSA-N
XLogP1.81
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide?
The IUPAC name of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide (CID 75448897) is N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide.
What is the SMILES notation for N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide?
The canonical SMILES for N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide is Cc1[nH]nc(NS(=O)(=O)Cc2ccc(F)cc2F)c1C#N.
What is the InChIKey of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide?
The InChIKey is APHVMKMEIUYBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N4O2S/c1-7-10(5-15)12(17-16-7)18-21(19,20)6-8-2-3-9(13)4-11(8)14/h2-4H,6H2,1H3,(H2,16,17,18).
What are the key properties of N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide?
N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide has a molecular weight of 312.30 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-5-methyl-1H-pyrazol-3-yl)-1-(2,4-difluorophenyl)methanesulfonamide is sourced from PubChem (CID 75448897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).