4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine

C17H20ClN3O4S — CID 121162883

IUPAC4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2ccnc(C)n2)CC1
InChIInChI=1S/C17H20ClN3O4S/c1-12-19-8-5-17(20-12)25-14-6-9-21(10-7-14)26(22,23)16-11-13(18)3-4-15(16)24-2/h3-5,8,11,14H,6-7,9-10H2,1-2H3
InChIKeyBZACCNLVXDPVFZ-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.68
Rot. Bonds5

About 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine

4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine (PubChem CID 121162883) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine.

Molecular Properties

Compound Name4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine
PubChem CID121162883
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2ccnc(C)n2)CC1
InChIInChI=1S/C17H20ClN3O4S/c1-12-19-8-5-17(20-12)25-14-6-9-21(10-7-14)26(22,23)16-11-13(18)3-4-15(16)24-2/h3-5,8,11,14H,6-7,9-10H2,1-2H3
InChIKeyBZACCNLVXDPVFZ-UHFFFAOYSA-N
XLogP2.68
TPSA81.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161732
2-[(3S)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-6-methylpyridine
CID 129418000
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637251
2-methyl-4-[1-(2-nitrophenyl)sulfonylpiperidin-4-yl]oxypyrimidine
CID 121162803
N-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]-6-methylpyrimidin-4-amine
CID 171336303
4-[1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methoxypyrimidine
CID 121161710
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 134161125
1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
2-[1-(2-methoxy-5-methylphenyl)sulfonylpiperidin-4-yl]oxyquinoxaline
CID 90560122
3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine
CID 90559434
2-[(3R)-1-(5-chloro-2-methoxyphenyl)sulfonylpyrrolidin-3-yl]triazole
CID 124892345
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-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine?
The IUPAC name of 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine (CID 121162883) is 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine.
What is the SMILES notation for 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine?
The canonical SMILES for 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine is COc1ccc(Cl)cc1S(=O)(=O)N1CCC(Oc2ccnc(C)n2)CC1.
What is the InChIKey of 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine?
The InChIKey is BZACCNLVXDPVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-12-19-8-5-17(20-12)25-14-6-9-21(10-7-14)26(22,23)16-11-13(18)3-4-15(16)24-2/h3-5,8,11,14H,6-7,9-10H2,1-2H3.
What are the key properties of 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine?
4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine has a molecular weight of 397.88 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]oxy-2-methylpyrimidine is sourced from PubChem (CID 121162883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).