4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine

C15H15Cl2N3O3S — CID 122160912

IUPAC4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine
SMILESCc1cc(S(=O)(=O)N2CCC(Oc3ccncn3)C2)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O3S/c1-10-6-14(13(17)7-12(10)16)24(21,22)20-5-3-11(8-20)23-15-2-4-18-9-19-15/h2,4,6-7,9,11H,3,5,8H2,1H3
InChIKeyZQOIOKRHGKTRMS-UHFFFAOYSA-N
MW388.28 g/mol
LogP2.93
Rot. Bonds4

About 4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine

4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine (PubChem CID 122160912) has the molecular formula C15H15Cl2N3O3S and a molecular weight of 388.28 g/mol. Its IUPAC name is 4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine.

Molecular Properties

Compound Name4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine
PubChem CID122160912
Molecular FormulaC15H15Cl2N3O3S
Molecular Weight388.28 g/mol
Exact Mass387.02
IUPAC Name4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine
SMILESCc1cc(S(=O)(=O)N2CCC(Oc3ccncn3)C2)c(Cl)cc1Cl
InChIInChI=1S/C15H15Cl2N3O3S/c1-10-6-14(13(17)7-12(10)16)24(21,22)20-5-3-11(8-20)23-15-2-4-18-9-19-15/h2,4,6-7,9,11H,3,5,8H2,1H3
InChIKeyZQOIOKRHGKTRMS-UHFFFAOYSA-N
XLogP2.93
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrazine
CID 71799317
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridazine
CID 90559750
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 90558922
2-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridine
CID 71799633
4-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260064
4-(1-methylsulfonylpiperidin-3-yl)oxypyrimidine
CID 122260059
3-[1-(5-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638526
4-[1-(4-ethoxy-3-methylphenyl)sulfonylpiperidin-3-yl]oxypyrimidine
CID 122260123
3-chloro-2-[1-(2,4-dichloro-5-methylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248183
1-[4-(4-pyrimidin-4-yloxypiperidin-1-yl)sulfonylphenyl]ethanone
CID 121162251
2-[1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 121017608
2-[(3S)-1-(2,5-dichlorophenyl)sulfonylpyrrolidin-3-yl]oxy-4,6-dimethylpyrimidine
CID 129355041

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine?
The IUPAC name of 4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine (CID 122160912) is 4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine.
What is the SMILES notation for 4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine?
The canonical SMILES for 4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine is Cc1cc(S(=O)(=O)N2CCC(Oc3ccncn3)C2)c(Cl)cc1Cl.
What is the InChIKey of 4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine?
The InChIKey is ZQOIOKRHGKTRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3O3S/c1-10-6-14(13(17)7-12(10)16)24(21,22)20-5-3-11(8-20)23-15-2-4-18-9-19-15/h2,4,6-7,9,11H,3,5,8H2,1H3.
What are the key properties of 4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine?
4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine has a molecular weight of 388.28 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,4-dichloro-5-methylphenyl)sulfonylpyrrolidin-3-yl]oxypyrimidine is sourced from PubChem (CID 122160912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).