4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide

C18H20ClN3O4S — CID 122257105

IUPAC4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCC(Oc2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C18H20ClN3O4S/c1-12-15(19)5-2-6-17(12)27(24,25)22-9-3-4-14(11-22)26-13-7-8-21-16(10-13)18(20)23/h2,5-8,10,14H,3-4,9,11H2,1H3,(H2,20,23)
InChIKeyVACOVCFHMIZSIW-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.37
Rot. Bonds5

About 4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide

4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide (PubChem CID 122257105) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
PubChem CID122257105
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N1CCCC(Oc2ccnc(C(N)=O)c2)C1
InChIInChI=1S/C18H20ClN3O4S/c1-12-15(19)5-2-6-17(12)27(24,25)22-9-3-4-14(11-22)26-13-7-8-21-16(10-13)18(20)23/h2,5-8,10,14H,3-4,9,11H2,1H3,(H2,20,23)
InChIKeyVACOVCFHMIZSIW-UHFFFAOYSA-N
XLogP2.37
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(2-methylquinolin-8-yl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257091
4-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257113
4-[1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide
CID 122257087
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-2-carboxamide
CID 11639788
4-[1-(1-methylsulfonylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256822
2-[1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-3-yl]oxy-3-methoxypyrazine
CID 90637208
4-[1-(2,6-difluorobenzoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256720
4-[1-(2-chloropropanoyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256686
(3S)-1-(3-chloro-2-methylphenyl)sulfonyl-N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]piperidine-3-carboxamide
CID 58656350
4-[1-(1-acetylpiperidine-4-carbonyl)piperidin-3-yl]oxypyridine-2-carboxamide
CID 122256655
4-[1-(2-chlorophenyl)sulfonylazetidin-3-yl]oxy-2-methylpyridine
CID 155801121
N-[(3S)-1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]pyridine-4-carboxamide
CID 11618123

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide (CID 122257105) is 4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide is Cc1c(Cl)cccc1S(=O)(=O)N1CCCC(Oc2ccnc(C(N)=O)c2)C1.
What is the InChIKey of 4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide?
The InChIKey is VACOVCFHMIZSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-12-15(19)5-2-6-17(12)27(24,25)22-9-3-4-14(11-22)26-13-7-8-21-16(10-13)18(20)23/h2,5-8,10,14H,3-4,9,11H2,1H3,(H2,20,23).
What are the key properties of 4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide?
4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide has a molecular weight of 409.90 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-2-methylphenyl)sulfonylpiperidin-3-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 122257105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).