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

C18H20BrN3O3S — CID 30260766

IUPAC(2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrN3O3S/c19-15-6-8-16(9-7-15)26(24,25)22-11-2-1-5-17(22)18(23)21-13-14-4-3-10-20-12-14/h3-4,6-10,12,17H,1-2,5,11,13H2,(H,21,23)/t17-/m0/s1
InChIKeyPALFEPNNXHMAIQ-KRWDZBQOSA-N
MW438.35 g/mol
LogP2.70
Rot. Bonds5

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

(2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide (PubChem CID 30260766) has the molecular formula C18H20BrN3O3S and a molecular weight of 438.35 g/mol. Its IUPAC name is (2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
PubChem CID30260766
Molecular FormulaC18H20BrN3O3S
Molecular Weight438.35 g/mol
Exact Mass437.04
IUPAC Name(2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H20BrN3O3S/c19-15-6-8-16(9-7-15)26(24,25)22-11-2-1-5-17(22)18(23)21-13-14-4-3-10-20-12-14/h3-4,6-10,12,17H,1-2,5,11,13H2,(H,21,23)/t17-/m0/s1
InChIKeyPALFEPNNXHMAIQ-KRWDZBQOSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 40696797
(2S)-1-(4-chlorophenyl)sulfonyl-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 40634690
1-(benzenesulfonyl)-N-benzylpiperidine-2-carboxamide
CID 4320284
1-(4-bromophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 24617176
1-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)methyl]pyrrolidine-2-carboxamide
CID 24617269
1-(benzenesulfonyl)-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 46476011
1,4-bis(benzenesulfonyl)-N-(pyridin-3-ylmethyl)piperazine-2-carboxamide
CID 2864325
1-(4-bromophenyl)sulfonyl-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 24654361
(2S)-N-benzyl-1-(4-ethylphenyl)sulfonylpiperidine-2-carboxamide
CID 101173679
1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24615754
(2R)-1-(4-bromophenyl)sulfonyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 30261060
1-(4-bromophenyl)sulfonyl-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)piperidine-2-carboxamide
CID 24646615

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide (CID 30260766) is (2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide is O=C(NCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of (2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
The InChIKey is PALFEPNNXHMAIQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20BrN3O3S/c19-15-6-8-16(9-7-15)26(24,25)22-11-2-1-5-17(22)18(23)21-13-14-4-3-10-20-12-14/h3-4,6-10,12,17H,1-2,5,11,13H2,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide?
(2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide has a molecular weight of 438.35 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 30260766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).