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

C19H22ClN3O3S — CID 651826

IUPAC1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3cccnc3)C2)cc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-14-6-7-17(10-18(14)20)27(25,26)23-9-3-5-16(13-23)19(24)22-12-15-4-2-8-21-11-15/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,22,24)
InChIKeyPWZGJMRREGJYNZ-UHFFFAOYSA-N
MW407.92 g/mol
LogP2.76
Rot. Bonds5

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

1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 651826) has the molecular formula C19H22ClN3O3S and a molecular weight of 407.92 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID651826
Molecular FormulaC19H22ClN3O3S
Molecular Weight407.92 g/mol
Exact Mass407.11
IUPAC Name1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3cccnc3)C2)cc1Cl
InChIInChI=1S/C19H22ClN3O3S/c1-14-6-7-17(10-18(14)20)27(25,26)23-9-3-5-16(13-23)19(24)22-12-15-4-2-8-21-11-15/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,22,24)
InChIKeyPWZGJMRREGJYNZ-UHFFFAOYSA-N
XLogP2.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.92
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 651826) is 1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3cccnc3)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is PWZGJMRREGJYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3S/c1-14-6-7-17(10-18(14)20)27(25,26)23-9-3-5-16(13-23)19(24)22-12-15-4-2-8-21-11-15/h2,4,6-8,10-11,16H,3,5,9,12-13H2,1H3,(H,22,24).
What are the key properties of 1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 407.92 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 651826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).