N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide

C19H23N5O3S — CID 121135181

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C19H23N5O3S/c1-4-16-5-7-17(8-6-16)27-9-10-28(25,26)23-18-12-19(21-13-20-18)24-15(3)11-14(2)22-24/h5-8,11-13H,4,9-10H2,1-3H3,(H,20,21,23)
InChIKeyWZHJAPUUNJJVAI-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.66
Rot. Bonds8

About N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide

N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide (PubChem CID 121135181) has the molecular formula C19H23N5O3S and a molecular weight of 401.49 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide
PubChem CID121135181
Molecular FormulaC19H23N5O3S
Molecular Weight401.49 g/mol
Exact Mass401.15
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide
SMILESCCc1ccc(OCCS(=O)(=O)Nc2cc(-n3nc(C)cc3C)ncn2)cc1
InChIInChI=1S/C19H23N5O3S/c1-4-16-5-7-17(8-6-16)27-9-10-28(25,26)23-18-12-19(21-13-20-18)24-15(3)11-14(2)22-24/h5-8,11-13H,4,9-10H2,1-3H3,(H,20,21,23)
InChIKeyWZHJAPUUNJJVAI-UHFFFAOYSA-N
XLogP2.66
TPSA99.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-ethylphenoxy)-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]ethanesulfonamide
CID 121135488
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 155975164
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-1-(3-fluorophenyl)methanesulfonamide
CID 122311753
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 121135146
6-(3,5-dimethylpyrazol-1-yl)-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 50830713
2-(4-ethylphenoxy)-N-(4-methyl-1,3-thiazol-2-yl)ethanesulfonamide
CID 90518762
2,4,5-trichloro-N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]benzenesulfonamide
CID 121135165
N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518736
N-[4-(diethylamino)phenyl]-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518737
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-fluorophenoxy)acetamide
CID 122289605
2-(4-ethylphenoxy)-N-(2-phenylphenyl)ethanesulfonamide
CID 90518830
N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]-2,4,6-trimethylbenzenesulfonamide
CID 122311580

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide (CID 121135181) is N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide is CCc1ccc(OCCS(=O)(=O)Nc2cc(-n3nc(C)cc3C)ncn2)cc1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide?
The InChIKey is WZHJAPUUNJJVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3S/c1-4-16-5-7-17(8-6-16)27-9-10-28(25,26)23-18-12-19(21-13-20-18)24-15(3)11-14(2)22-24/h5-8,11-13H,4,9-10H2,1-3H3,(H,20,21,23).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide?
N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide has a molecular weight of 401.49 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-2-(4-ethylphenoxy)ethanesulfonamide is sourced from PubChem (CID 121135181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).