N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide

C19H20BrN3O4S — CID 135425024

IUPACN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(N/N=C\c1cc(Br)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H20BrN3O4S/c20-16-6-9-18(24)15(12-16)13-21-22-19(25)14-4-7-17(8-5-14)28(26,27)23-10-2-1-3-11-23/h4-9,12-13,24H,1-3,10-11H2,(H,22,25)/b21-13-
InChIKeyRRJSUJMFJJRYOX-BKUYFWCQSA-N
MW466.36 g/mol
LogP3.09
Rot. Bonds5

About N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide

N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 135425024) has the molecular formula C19H20BrN3O4S and a molecular weight of 466.36 g/mol. Its IUPAC name is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID135425024
Molecular FormulaC19H20BrN3O4S
Molecular Weight466.36 g/mol
Exact Mass465.04
IUPAC NameN-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(N/N=C\c1cc(Br)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C19H20BrN3O4S/c20-16-6-9-18(24)15(12-16)13-21-22-19(25)14-4-7-17(8-5-14)28(26,27)23-10-2-1-3-11-23/h4-9,12-13,24H,1-3,10-11H2,(H,22,25)/b21-13-
InChIKeyRRJSUJMFJJRYOX-BKUYFWCQSA-N
XLogP3.09
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide (CID 135425024) is N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide is O=C(N/N=C\c1cc(Br)ccc1O)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RRJSUJMFJJRYOX-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H20BrN3O4S/c20-16-6-9-18(24)15(12-16)13-21-22-19(25)14-4-7-17(8-5-14)28(26,27)23-10-2-1-3-11-23/h4-9,12-13,24H,1-3,10-11H2,(H,22,25)/b21-13-.
What are the key properties of N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide?
N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 466.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(5-bromo-2-hydroxyphenyl)methylideneamino]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 135425024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).