4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol

C18H19BrN2O3S — CID 1011523

IUPAC4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESO=S(=O)(c1ccc(/N=C/c2cc(Br)ccc2O)cc1)N1CCCCC1
InChIInChI=1S/C18H19BrN2O3S/c19-15-4-9-18(22)14(12-15)13-20-16-5-7-17(8-6-16)25(23,24)21-10-2-1-3-11-21/h4-9,12-13,22H,1-3,10-11H2/b20-13+
InChIKeyZOQWQEXFRVBSMB-DEDYPNTBSA-N
MW423.33 g/mol
LogP4.08
Rot. Bonds4

About 4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol

4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol (PubChem CID 1011523) has the molecular formula C18H19BrN2O3S and a molecular weight of 423.33 g/mol. Its IUPAC name is 4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
PubChem CID1011523
Molecular FormulaC18H19BrN2O3S
Molecular Weight423.33 g/mol
Exact Mass422.03
IUPAC Name4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESO=S(=O)(c1ccc(/N=C/c2cc(Br)ccc2O)cc1)N1CCCCC1
InChIInChI=1S/C18H19BrN2O3S/c19-15-4-9-18(22)14(12-15)13-20-16-5-7-17(8-6-16)25(23,24)21-10-2-1-3-11-21/h4-9,12-13,22H,1-3,10-11H2/b20-13+
InChIKeyZOQWQEXFRVBSMB-DEDYPNTBSA-N
XLogP4.08
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.33
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol (CID 1011523) is 4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol is O=S(=O)(c1ccc(/N=C/c2cc(Br)ccc2O)cc1)N1CCCCC1.
What is the InChIKey of 4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The InChIKey is ZOQWQEXFRVBSMB-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H19BrN2O3S/c19-15-4-9-18(22)14(12-15)13-20-16-5-7-17(8-6-16)25(23,24)21-10-2-1-3-11-21/h4-9,12-13,22H,1-3,10-11H2/b20-13+.
What are the key properties of 4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol has a molecular weight of 423.33 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol is sourced from PubChem (CID 1011523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).