1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

C19H22ClN3O4S — CID 1008082

IUPAC1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccncc3)CC2)cc1Cl
InChIInChI=1S/C19H22ClN3O4S/c1-27-18-3-2-16(12-17(18)20)28(25,26)23-10-6-15(7-11-23)19(24)22-13-14-4-8-21-9-5-14/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,22,24)
InChIKeyPUJYVNLIZDOLCR-UHFFFAOYSA-N
MW423.92 g/mol
LogP2.46
Rot. Bonds6

About 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide

1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (PubChem CID 1008082) has the molecular formula C19H22ClN3O4S and a molecular weight of 423.92 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
PubChem CID1008082
Molecular FormulaC19H22ClN3O4S
Molecular Weight423.92 g/mol
Exact Mass423.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccncc3)CC2)cc1Cl
InChIInChI=1S/C19H22ClN3O4S/c1-27-18-3-2-16(12-17(18)20)28(25,26)23-10-6-15(7-11-23)19(24)22-13-14-4-8-21-9-5-14/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,22,24)
InChIKeyPUJYVNLIZDOLCR-UHFFFAOYSA-N
XLogP2.46
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.92
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 2981499
3-Chloro-4-methoxy-N-pyridin-4-ylmethyl-benzenesulfonamide
CID 974271
2-(3-Chloro-4-methoxy-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 3162899
1-[(3,4-dimethoxyphenyl)sulfonyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide
CID 1088312
1-[(3-chloro-4-methoxyphenyl)sulfonyl]-N-(4-pyridinylmethyl)-3-piperidinecarboxamide
CID 2974774
1-[(3-chloro-4-methoxyphenyl)sulfonyl]-N-(2-pyridinylmethyl)-3-piperidinecarboxamide
CID 2976158
1-[(4-ethoxyphenyl)sulfonyl]-N-(3-pyridinylmethyl)-4-piperidinecarboxamide
CID 2988690
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3161901
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3162882
N-(3-chloro-4-methoxyphenyl)-1-(pyridin-3-ylsulfonyl)piperidine-4-carboxamide
CID 5309136
2-(5-Chloro-2-methoxy-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 6493574
1-(3-Chloro-4-ethoxybenzenesulfonyl)-N-[(pyridin-2-YL)methyl]piperidine-3-carboxamide
CID 6495107

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide (CID 1008082) is 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccncc3)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
The InChIKey is PUJYVNLIZDOLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O4S/c1-27-18-3-2-16(12-17(18)20)28(25,26)23-10-6-15(7-11-23)19(24)22-13-14-4-8-21-9-5-14/h2-5,8-9,12,15H,6-7,10-11,13H2,1H3,(H,22,24).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide?
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide has a molecular weight of 423.92 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 1008082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).