(3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

C18H20BrN3O3S — CID 26028451

IUPAC(3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C18H20BrN3O3S/c1-13-4-2-6-17(20-13)21-18(23)14-5-3-11-22(12-14)26(24,25)16-9-7-15(19)8-10-16/h2,4,6-10,14H,3,5,11-12H2,1H3,(H,20,21,23)/t14-/m0/s1
InChIKeyYTPNTZXFIZEJNX-AWEZNQCLSA-N
MW438.35 g/mol
LogP3.19
Rot. Bonds4

About (3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide

(3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 26028451) has the molecular formula C18H20BrN3O3S and a molecular weight of 438.35 g/mol. Its IUPAC name is (3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
PubChem CID26028451
Molecular FormulaC18H20BrN3O3S
Molecular Weight438.35 g/mol
Exact Mass437.04
IUPAC Name(3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
SMILESCc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)n1
InChIInChI=1S/C18H20BrN3O3S/c1-13-4-2-6-17(20-13)21-18(23)14-5-3-11-22(12-14)26(24,25)16-9-7-15(19)8-10-16/h2,4,6-10,14H,3,5,11-12H2,1H3,(H,20,21,23)/t14-/m0/s1
InChIKeyYTPNTZXFIZEJNX-AWEZNQCLSA-N
XLogP3.19
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(4-bromophenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 26028129
(3S)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302253
(3R)-1-(4-bromophenyl)sulfonyl-N-(2-methylphenyl)piperidine-3-carboxamide
CID 41302252
(3S)-N-(4-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1078601
1-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl]-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 22430686
(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methylsulfanylphenyl)piperidine-3-carboxamide
CID 1243346
(3R)-N-(6-methyl-2-pyridinyl)-5-oxo-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51719157
(3S)-1-(4-bromophenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 41302306
N-(3-bromophenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16863431
(3S)-1-(4-bromophenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 41302466
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 16862805
1-(2-methoxy-5-nitrophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55815918

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 26028451) is (3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)n1.
What is the InChIKey of (3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
The InChIKey is YTPNTZXFIZEJNX-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20BrN3O3S/c1-13-4-2-6-17(20-13)21-18(23)14-5-3-11-22(12-14)26(24,25)16-9-7-15(19)8-10-16/h2,4,6-10,14H,3,5,11-12H2,1H3,(H,20,21,23)/t14-/m0/s1.
What are the key properties of (3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide?
(3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 438.35 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-bromophenyl)sulfonyl-N-(6-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 26028451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).