1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C18H20BrN3O3S — CID 2980230

IUPAC1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C18H20BrN3O3S/c19-15-6-8-17(9-7-15)26(24,25)22-11-3-4-14(13-22)18(23)21-12-16-5-1-2-10-20-16/h1-2,5-10,14H,3-4,11-13H2,(H,21,23)
InChIKeyHJVBLAAZDWCHSP-UHFFFAOYSA-N
MW438.35 g/mol
LogP2.56
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 2980230) has the molecular formula C18H20BrN3O3S and a molecular weight of 438.35 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID2980230
Molecular FormulaC18H20BrN3O3S
Molecular Weight438.35 g/mol
Exact Mass437.04
IUPAC Name1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C18H20BrN3O3S/c19-15-6-8-17(9-7-15)26(24,25)22-11-3-4-14(13-22)18(23)21-12-16-5-1-2-10-20-16/h1-2,5-10,14H,3-4,11-13H2,(H,21,23)
InChIKeyHJVBLAAZDWCHSP-UHFFFAOYSA-N
XLogP2.56
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 2980230) is 1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is HJVBLAAZDWCHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O3S/c19-15-6-8-17(9-7-15)26(24,25)22-11-3-4-14(13-22)18(23)21-12-16-5-1-2-10-20-16/h1-2,5-10,14H,3-4,11-13H2,(H,21,23).
What are the key properties of 1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 438.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 2980230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).