N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide

C17H18FN5O2S — CID 71879853

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NS(=O)(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN5O2S/c1-11-8-12(2)20-17(19-11)23-16(9-13(3)21-23)22-26(24,25)10-14-4-6-15(18)7-5-14/h4-9,22H,10H2,1-3H3
InChIKeyPYWFRNHGJPMHBQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.67
Rot. Bonds5

About N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide

N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 71879853) has the molecular formula C17H18FN5O2S and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID71879853
Molecular FormulaC17H18FN5O2S
Molecular Weight375.43 g/mol
Exact Mass375.12
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide
SMILESCc1cc(C)nc(-n2nc(C)cc2NS(=O)(=O)Cc2ccc(F)cc2)n1
InChIInChI=1S/C17H18FN5O2S/c1-11-8-12(2)20-17(19-11)23-16(9-13(3)21-23)22-26(24,25)10-14-4-6-15(18)7-5-14/h4-9,22H,10H2,1-3H3
InChIKeyPYWFRNHGJPMHBQ-UHFFFAOYSA-N
XLogP2.67
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide (CID 71879853) is N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide is Cc1cc(C)nc(-n2nc(C)cc2NS(=O)(=O)Cc2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is PYWFRNHGJPMHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2S/c1-11-8-12(2)20-17(19-11)23-16(9-13(3)21-23)22-26(24,25)10-14-4-6-15(18)7-5-14/h4-9,22H,10H2,1-3H3.
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 375.43 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 71879853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).