N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide

C18H19BrN4O4S — CID 42060823

IUPACN'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C18H19BrN4O4S/c19-13-7-9-14(10-8-13)28(26,27)23-12-4-2-6-16(23)18(25)22-21-17(24)15-5-1-3-11-20-15/h1,3,5,7-11,16H,2,4,6,12H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyXUFAUPRFCPKCSJ-INIZCTEOSA-N
MW467.35 g/mol
LogP1.85
Rot. Bonds4

About N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide

N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide (PubChem CID 42060823) has the molecular formula C18H19BrN4O4S and a molecular weight of 467.35 g/mol. Its IUPAC name is N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide.

Molecular Properties

Compound NameN'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide
PubChem CID42060823
Molecular FormulaC18H19BrN4O4S
Molecular Weight467.35 g/mol
Exact Mass466.03
IUPAC NameN'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide
SMILESO=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccn1
InChIInChI=1S/C18H19BrN4O4S/c19-13-7-9-14(10-8-13)28(26,27)23-12-4-2-6-16(23)18(25)22-21-17(24)15-5-1-3-11-20-15/h1,3,5,7-11,16H,2,4,6,12H2,(H,21,24)(H,22,25)/t16-/m0/s1
InChIKeyXUFAUPRFCPKCSJ-INIZCTEOSA-N
XLogP1.85
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[(2R)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide
CID 42060829
N'-[4-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzoyl]pyridine-2-carbohydrazide
CID 9331872
1-(4-bromophenyl)sulfonyl-N-phenylpiperidine-2-carboxamide
CID 24604772
1-(4-bromophenyl)sulfonyl-N-cycloheptylpyrrolidine-2-carboxamide
CID 24617140
1-(4-bromophenyl)sulfonyl-N-(2-methylpropyl)piperidine-2-carboxamide
CID 24615754
(2S)-1-(4-bromophenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 30260766
1-(4-bromophenyl)sulfonyl-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 42889021
azepan-1-yl-[1-(4-bromophenyl)sulfonylpiperidin-2-yl]methanone
CID 24604648
1-(benzenesulfonyl)-N-cyclopentylpiperidine-2-carboxamide
CID 51159553
1-(benzenesulfonyl)-N-(1-pyridin-2-ylethyl)piperidine-2-carboxamide
CID 55334760
(2S)-1-(4-bromophenyl)sulfonyl-N-(5-chloro-2-fluorophenyl)piperidine-2-carboxamide
CID 26026607
(2R)-N-(3-bromophenyl)-1-(4-chlorophenyl)sulfonylpiperidine-2-carboxamide
CID 92865547

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide?
The IUPAC name of N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide (CID 42060823) is N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide.
What is the SMILES notation for N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide?
The canonical SMILES for N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide is O=C(NNC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccccn1.
What is the InChIKey of N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide?
The InChIKey is XUFAUPRFCPKCSJ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H19BrN4O4S/c19-13-7-9-14(10-8-13)28(26,27)23-12-4-2-6-16(23)18(25)22-21-17(24)15-5-1-3-11-20-15/h1,3,5,7-11,16H,2,4,6,12H2,(H,21,24)(H,22,25)/t16-/m0/s1.
What are the key properties of N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide?
N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide has a molecular weight of 467.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2S)-1-(4-bromophenyl)sulfonylpiperidine-2-carbonyl]pyridine-2-carbohydrazide is sourced from PubChem (CID 42060823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).