4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol

C18H19N3O5S — CID 135595201

IUPAC4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C18H19N3O5S/c22-18-8-7-16(21(23)24)11-14(18)13-19-15-5-4-6-17(12-15)27(25,26)20-9-2-1-3-10-20/h4-8,11-13,22H,1-3,9-10H2/b19-13+
InChIKeyZBXSDZFWWLZWLI-CPNJWEJPSA-N
MW389.43 g/mol
LogP3.23
Rot. Bonds5

About 4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol

4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol (PubChem CID 135595201) has the molecular formula C18H19N3O5S and a molecular weight of 389.43 g/mol. Its IUPAC name is 4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol.

Molecular Properties

Compound Name4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
PubChem CID135595201
Molecular FormulaC18H19N3O5S
Molecular Weight389.43 g/mol
Exact Mass389.10
IUPAC Name4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
SMILESO=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(S(=O)(=O)N3CCCCC3)c2)c1
InChIInChI=1S/C18H19N3O5S/c22-18-8-7-16(21(23)24)11-14(18)13-19-15-5-4-6-17(12-15)27(25,26)20-9-2-1-3-10-20/h4-8,11-13,22H,1-3,9-10H2/b19-13+
InChIKeyZBXSDZFWWLZWLI-CPNJWEJPSA-N
XLogP3.23
TPSA113.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-nitro-2-[(3-piperidin-1-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

2-[(3-methylsulfonylphenyl)iminomethyl]-4-nitrophenol
CID 135855366
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(3-nitrophenyl)methanimine
CID 4511190
1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 135595207
N-[3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]acetamide
CID 758520
5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135595128
(4-nitrophenyl) 3-(azepan-1-ylsulfonyl)benzoate
CID 7900975
2-[(Z)-[[2-(azepan-1-ylsulfonyl)-4-nitrophenyl]hydrazinylidene]methyl]phenol
CID 137172687
2-[[2-hydroxy-5-[4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]-4-nitrophenol
CID 3683994
4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993
(3S)-1-(3-nitrophenyl)sulfonylpiperidine-3-carboxylate
CID 7058472
3-nitro-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 7759828
N,N-dimethyl-4-nitro-2-[(4-piperidin-1-yl-3-piperidin-1-ylsulfonylphenyl)iminomethyl]aniline
CID 94849805

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The IUPAC name of 4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol (CID 135595201) is 4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol.
What is the SMILES notation for 4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The canonical SMILES for 4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol is O=[N+]([O-])c1ccc(O)c(/C=N/c2cccc(S(=O)(=O)N3CCCCC3)c2)c1.
What is the InChIKey of 4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
The InChIKey is ZBXSDZFWWLZWLI-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H19N3O5S/c22-18-8-7-16(21(23)24)11-14(18)13-19-15-5-4-6-17(12-15)27(25,26)20-9-2-1-3-10-20/h4-8,11-13,22H,1-3,9-10H2/b19-13+.
What are the key properties of 4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol?
4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol has a molecular weight of 389.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol is sourced from PubChem (CID 135595201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).