6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide

C18H20ClN3O4S — CID 91914144

IUPAC6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCC(Oc2ccc(C(N)=O)cn2)CC1
InChIInChI=1S/C18H20ClN3O4S/c1-12-10-14(19)3-4-16(12)27(24,25)22-8-6-15(7-9-22)26-17-5-2-13(11-21-17)18(20)23/h2-5,10-11,15H,6-9H2,1H3,(H2,20,23)
InChIKeyLWSSVXFQCZAOBL-UHFFFAOYSA-N
MW409.90 g/mol
LogP2.37
Rot. Bonds5

About 6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide

6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide (PubChem CID 91914144) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is 6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
PubChem CID91914144
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC Name6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide
SMILESCc1cc(Cl)ccc1S(=O)(=O)N1CCC(Oc2ccc(C(N)=O)cn2)CC1
InChIInChI=1S/C18H20ClN3O4S/c1-12-10-14(19)3-4-16(12)27(24,25)22-8-6-15(7-9-22)26-17-5-2-13(11-21-17)18(20)23/h2-5,10-11,15H,6-9H2,1H3,(H2,20,23)
InChIKeyLWSSVXFQCZAOBL-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

5-chloro-2-[1-(2,4-dimethylphenyl)sulfonylazetidin-3-yl]oxypyridine
CID 122248543
3-[1-(2,4-dichloro-5-methylphenyl)sulfonylpiperidin-4-yl]oxy-6-methylpyridazine
CID 90559750
3-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypropan-1-amine
CID 119992878
3-[1-(5-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridazine
CID 90559434
[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 119964008
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpiperidine-2-carboxamide
CID 70111198
1-[4-[(5-chloro-2-pyridinyl)oxy]piperidin-1-yl]sulfonylpropan-2-one
CID 23133619
1-(4-chloro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031664
5-chloro-2-(1-propan-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798967
5-chloro-2-(1-thiophen-2-ylsulfonylpiperidin-4-yl)oxypyridine
CID 71798965
4-(3-chlorophenoxy)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 110358902
5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
CID 167560910

Frequently Asked Questions

What is the IUPAC name of 6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
The IUPAC name of 6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide (CID 91914144) is 6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
The canonical SMILES for 6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide is Cc1cc(Cl)ccc1S(=O)(=O)N1CCC(Oc2ccc(C(N)=O)cn2)CC1.
What is the InChIKey of 6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
The InChIKey is LWSSVXFQCZAOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-12-10-14(19)3-4-16(12)27(24,25)22-8-6-15(7-9-22)26-17-5-2-13(11-21-17)18(20)23/h2-5,10-11,15H,6-9H2,1H3,(H2,20,23).
What are the key properties of 6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide?
6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-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 6-[1-(4-chloro-2-methylphenyl)sulfonylpiperidin-4-yl]oxypyridine-3-carboxamide is sourced from PubChem (CID 91914144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).