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

C19H21BrN2O4S — CID 2351511

IUPAC4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESCOc1cc(S(=O)(=O)N2CCCCC2)ccc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C19H21BrN2O4S/c1-26-19-12-16(27(24,25)22-9-3-2-4-10-22)6-7-17(19)21-13-14-11-15(20)5-8-18(14)23/h5-8,11-13,23H,2-4,9-10H2,1H3/b21-13+
InChIKeyGIDUUYXDNNGEDL-FYJGNVAPSA-N
MW453.36 g/mol
LogP4.09
Rot. Bonds5

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

4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol (PubChem CID 2351511) has the molecular formula C19H21BrN2O4S and a molecular weight of 453.36 g/mol. Its IUPAC name is 4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
PubChem CID2351511
Molecular FormulaC19H21BrN2O4S
Molecular Weight453.36 g/mol
Exact Mass452.04
IUPAC Name4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESCOc1cc(S(=O)(=O)N2CCCCC2)ccc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C19H21BrN2O4S/c1-26-19-12-16(27(24,25)22-9-3-2-4-10-22)6-7-17(19)21-13-14-11-15(20)5-8-18(14)23/h5-8,11-13,23H,2-4,9-10H2,1H3/b21-13+
InChIKeyGIDUUYXDNNGEDL-FYJGNVAPSA-N
XLogP4.09
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.36
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxy-4-piperidin-1-ylsulfonylphenyl)-1-pyridin-2-ylmethanimine
CID 23850129
4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 4848013
2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135778678
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927
N-(2-methoxy-4-morpholin-4-ylsulfonylphenyl)-1-pyridin-4-ylmethanimine
CID 23763226
1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine
CID 19132660
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135595201
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
N-[(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-piperidin-1-ylsulfonylbenzamide
CID 2589477
4-methoxy-2-[[(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)hydrazinylidene]methyl]phenol
CID 4251644
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol (CID 2351511) is 4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol is COc1cc(S(=O)(=O)N2CCCCC2)ccc1/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The InChIKey is GIDUUYXDNNGEDL-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21BrN2O4S/c1-26-19-12-16(27(24,25)22-9-3-2-4-10-22)6-7-17(19)21-13-14-11-15(20)5-8-18(14)23/h5-8,11-13,23H,2-4,9-10H2,1H3/b21-13+.
What are the key properties of 4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol has a molecular weight of 453.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol is sourced from PubChem (CID 2351511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).