N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

C20H22BrN3O3S — CID 6283209

IUPACN-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C\c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C20H22BrN3O3S/c1-15-5-7-19(8-6-15)28(26,27)24-11-9-17(10-12-24)20(25)23-22-14-16-3-2-4-18(21)13-16/h2-8,13-14,17H,9-12H2,1H3,(H,23,25)/b22-14-
InChIKeySHZPRLACFAILGA-HMAPJEAMSA-N
MW464.39 g/mol
LogP3.31
Rot. Bonds5

About N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide

N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (PubChem CID 6283209) has the molecular formula C20H22BrN3O3S and a molecular weight of 464.39 g/mol. Its IUPAC name is N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
PubChem CID6283209
Molecular FormulaC20H22BrN3O3S
Molecular Weight464.39 g/mol
Exact Mass463.06
IUPAC NameN-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C\c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C20H22BrN3O3S/c1-15-5-7-19(8-6-15)28(26,27)24-11-9-17(10-12-24)20(25)23-22-14-16-3-2-4-18(21)13-16/h2-8,13-14,17H,9-12H2,1H3,(H,23,25)/b22-14-
InChIKeySHZPRLACFAILGA-HMAPJEAMSA-N
XLogP3.31
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-ylmethylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1035452
N-[(Z)-(3-bromophenyl)methylideneamino]cyclopropanecarboxamide
CID 5414194
(3R)-N-[(Z)-(3-fluorophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 9409083
1-(4-methylphenyl)sulfonyl-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]piperidine-4-carboxamide
CID 8900427
1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrrol-2-yl)methylideneamino]piperidine-4-carboxamide
CID 53356587
N-(cinnamylideneamino)-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 5216913
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 46495512
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(2-chlorobenzoyl)piperidine-4-carboxamide
CID 126012715
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 136863496
(3S)-N-[(E)-(4-hydroxyphenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 135852698
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methoxybenzoyl)piperidine-4-carboxamide
CID 126013238
N-methyl-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 754867

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide (CID 6283209) is N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N/N=C\c3cccc(Br)c3)CC2)cc1.
What is the InChIKey of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
The InChIKey is SHZPRLACFAILGA-HMAPJEAMSA-N. The full InChI is InChI=1S/C20H22BrN3O3S/c1-15-5-7-19(8-6-15)28(26,27)24-11-9-17(10-12-24)20(25)23-22-14-16-3-2-4-18(21)13-16/h2-8,13-14,17H,9-12H2,1H3,(H,23,25)/b22-14-.
What are the key properties of N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide?
N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide has a molecular weight of 464.39 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-bromophenyl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 6283209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).