2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine

C18H17N3O4S — CID 149046563

IUPAC2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine
SMILESCOc1ccc(OC)c(S(=O)(=O)Cc2cncc(-c3ncccn3)c2)c1
InChIInChI=1S/C18H17N3O4S/c1-24-15-4-5-16(25-2)17(9-15)26(22,23)12-13-8-14(11-19-10-13)18-20-6-3-7-21-18/h3-11H,12H2,1-2H3
InChIKeyQISBEHBFUXQFGS-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.53
Rot. Bonds6

About 2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine

2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine (PubChem CID 149046563) has the molecular formula C18H17N3O4S and a molecular weight of 371.42 g/mol. Its IUPAC name is 2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine
PubChem CID149046563
Molecular FormulaC18H17N3O4S
Molecular Weight371.42 g/mol
Exact Mass371.09
IUPAC Name2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine
SMILESCOc1ccc(OC)c(S(=O)(=O)Cc2cncc(-c3ncccn3)c2)c1
InChIInChI=1S/C18H17N3O4S/c1-24-15-4-5-16(25-2)17(9-15)26(22,23)12-13-8-14(11-19-10-13)18-20-6-3-7-21-18/h3-11H,12H2,1-2H3
InChIKeyQISBEHBFUXQFGS-UHFFFAOYSA-N
XLogP2.53
TPSA91.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[2-methoxy-5-(trifluoromethoxy)phenyl]sulfonylmethyl]-5-pyridin-2-ylpyridine
CID 157422960
methyl 5-[(2,5-dimethoxyphenyl)sulfonylmethyl]pyridine-3-carboxylate
CID 148788780
5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 158000615
5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-N-methylpyridin-2-amine
CID 161183408
3-[(5-bromo-2-methoxyphenyl)sulfonylmethyl]-5-(2-methoxyphenyl)pyridine;3-[(5-bromo-2-methoxyphenyl)sulfonylmethyl]-5-(4-methylphenyl)pyridine;3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(2-methoxyphenyl)pyridine;bis(3-[(5-chloro-2-methoxyphenyl)sulfonylmethyl]-5-(4-methylphenyl)pyridine);3-[(2,5-dimethoxyphenyl)sulfonylmethyl]-5-(2-methoxyphenyl)pyridine;3-[(2,5-dimethoxyphenyl)sulfonylmethyl]-5-(2-methylphenyl)pyridine;3-[(2,5-dimethoxyphenyl)sulfonylmethyl]-5-(4-methylphenyl)pyridine
CID 162098999
2,5-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683567
5-[5-[(5-bromo-2-methoxyphenyl)sulfonylmethyl]-3-pyridinyl]-1,3-thiazole
CID 158363324
[3-[(2,5-dimethoxyphenyl)sulfonylmethyl]quinolin-6-yl]methyl methanesulfonate
CID 157350617
5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 30849548
1-(2,5-dimethoxyphenyl)sulfonyl-4-(pyridin-3-ylmethyl)piperazine
CID 51307414
2,5-dimethoxy-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 786081
2,5-dimethoxy-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 108784363

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine?
The IUPAC name of 2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine (CID 149046563) is 2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine.
What is the SMILES notation for 2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine?
The canonical SMILES for 2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine is COc1ccc(OC)c(S(=O)(=O)Cc2cncc(-c3ncccn3)c2)c1.
What is the InChIKey of 2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine?
The InChIKey is QISBEHBFUXQFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4S/c1-24-15-4-5-16(25-2)17(9-15)26(22,23)12-13-8-14(11-19-10-13)18-20-6-3-7-21-18/h3-11H,12H2,1-2H3.
What are the key properties of 2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine?
2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine has a molecular weight of 371.42 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,5-dimethoxyphenyl)sulfonylmethyl]-3-pyridinyl]pyrimidine is sourced from PubChem (CID 149046563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).