N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide

C16H17N5O2S — CID 75394172

IUPACN-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide
SMILESCc1cc(C)nc(-n2nccc2NS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C16H17N5O2S/c1-12-10-13(2)19-16(18-12)21-15(8-9-17-21)20-24(22,23)11-14-6-4-3-5-7-14/h3-10,20H,11H2,1-2H3
InChIKeyDOGGJCJZTVEWRA-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.22
Rot. Bonds5

About N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide

N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide (PubChem CID 75394172) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide
PubChem CID75394172
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC NameN-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide
SMILESCc1cc(C)nc(-n2nccc2NS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C16H17N5O2S/c1-12-10-13(2)19-16(18-12)21-15(8-9-17-21)20-24(22,23)11-14-6-4-3-5-7-14/h3-10,20H,11H2,1-2H3
InChIKeyDOGGJCJZTVEWRA-UHFFFAOYSA-N
XLogP2.22
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.22
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)pyrazol-3-yl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide (CID 75394172) is N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide is Cc1cc(C)nc(-n2nccc2NS(=O)(=O)Cc2ccccc2)n1.
What is the InChIKey of N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide?
The InChIKey is DOGGJCJZTVEWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c1-12-10-13(2)19-16(18-12)21-15(8-9-17-21)20-24(22,23)11-14-6-4-3-5-7-14/h3-10,20H,11H2,1-2H3.
What are the key properties of N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide?
N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]-1-phenylmethanesulfonamide has a molecular weight of 343.41 g/mol, XLogP of 2.22, 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)pyrazol-3-yl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 75394172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).