4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol

C18H19BrN2O4S — CID 4848013

IUPAC4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C18H19BrN2O4S/c1-13-2-4-16(26(23,24)21-6-8-25-9-7-21)11-17(13)20-12-14-10-15(19)3-5-18(14)22/h2-5,10-12,22H,6-9H2,1H3/b20-12+
InChIKeyTYOMZICGZKLEEF-UDWIEESQSA-N
MW439.33 g/mol
LogP3.23
Rot. Bonds4

About 4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol

4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol (PubChem CID 4848013) has the molecular formula C18H19BrN2O4S and a molecular weight of 439.33 g/mol. Its IUPAC name is 4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
PubChem CID4848013
Molecular FormulaC18H19BrN2O4S
Molecular Weight439.33 g/mol
Exact Mass438.02
IUPAC Name4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
SMILESCc1ccc(S(=O)(=O)N2CCOCC2)cc1/N=C/c1cc(Br)ccc1O
InChIInChI=1S/C18H19BrN2O4S/c1-13-2-4-16(26(23,24)21-6-8-25-9-7-21)11-17(13)20-12-14-10-15(19)3-5-18(14)22/h2-5,10-12,22H,6-9H2,1H3/b20-12+
InChIKeyTYOMZICGZKLEEF-UDWIEESQSA-N
XLogP3.23
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2-[(2-methoxy-4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 2351511
4-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzenesulfonic acid
CID 4779411
2-chloro-4-morpholin-4-ylsulfonylphenol
CID 3821405
(4-bromophenyl)methyl 2-methyl-5-morpholin-4-ylsulfonylbenzoate
CID 2715867
1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 3487622
2-(methylamino)-5-morpholin-4-ylsulfonylphenol
CID 42647844
(2-methyl-5-morpholin-4-ylsulfonylphenoxy)boronic acid
CID 142772199
5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 135812287
methyl 5-[(5-bromo-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylbenzoate
CID 135633379
2-methoxy-4-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 5155606
4,10-bis-(4-methylphenyl)sulfonyl-1,7-dioxa-4,10-diazacyclododecane
CID 1101145
2-[(4-morpholin-4-ylsulfonylphenyl)methyliminomethyl]phenol
CID 135817986

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
The IUPAC name of 4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol (CID 4848013) is 4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol is Cc1ccc(S(=O)(=O)N2CCOCC2)cc1/N=C/c1cc(Br)ccc1O.
What is the InChIKey of 4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
The InChIKey is TYOMZICGZKLEEF-UDWIEESQSA-N. The full InChI is InChI=1S/C18H19BrN2O4S/c1-13-2-4-16(26(23,24)21-6-8-25-9-7-21)11-17(13)20-12-14-10-15(19)3-5-18(14)22/h2-5,10-12,22H,6-9H2,1H3/b20-12+.
What are the key properties of 4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol?
4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol has a molecular weight of 439.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[(2-methyl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol is sourced from PubChem (CID 4848013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).