N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide

C17H19N5O2S — CID 1068834

IUPACN-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C17H19N5O2S/c1-11-5-7-15(8-6-11)25(23,24)21-17-18-12(2)10-16(19-17)22-14(4)9-13(3)20-22/h5-10H,1-4H3,(H,18,19,21)
InChIKeyRGQRYDCBPDEQSA-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.70
Rot. Bonds4

About N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide

N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide (PubChem CID 1068834) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide
PubChem CID1068834
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC NameN-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1
InChIInChI=1S/C17H19N5O2S/c1-11-5-7-15(8-6-11)25(23,24)21-17-18-12(2)10-16(19-17)22-14(4)9-13(3)20-22/h5-10H,1-4H3,(H,18,19,21)
InChIKeyRGQRYDCBPDEQSA-UHFFFAOYSA-N
XLogP2.70
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide (CID 1068834) is N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1.
What is the InChIKey of N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is RGQRYDCBPDEQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-11-5-7-15(8-6-11)25(23,24)21-17-18-12(2)10-16(19-17)22-14(4)9-13(3)20-22/h5-10H,1-4H3,(H,18,19,21).
What are the key properties of N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide?
N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 357.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 1068834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).