4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol

C18H20N2O4S — CID 4512993

IUPAC4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
SMILESO=S(=O)(c1ccc(/N=C/c2ccc(O)cc2O)cc1)N1CCCCC1
InChIInChI=1S/C18H20N2O4S/c21-16-7-4-14(18(22)12-16)13-19-15-5-8-17(9-6-15)25(23,24)20-10-2-1-3-11-20/h4-9,12-13,21-22H,1-3,10-11H2/b19-13+
InChIKeyZLIIASIRADGKFT-CPNJWEJPSA-N
MW360.44 g/mol
LogP3.02
Rot. Bonds4

About 4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol

4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol (PubChem CID 4512993) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
PubChem CID4512993
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC Name4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
SMILESO=S(=O)(c1ccc(/N=C/c2ccc(O)cc2O)cc1)N1CCCCC1
InChIInChI=1S/C18H20N2O4S/c21-16-7-4-14(18(22)12-16)13-19-15-5-8-17(9-6-15)25(23,24)20-10-2-1-3-11-20/h4-9,12-13,21-22H,1-3,10-11H2/b19-13+
InChIKeyZLIIASIRADGKFT-CPNJWEJPSA-N
XLogP3.02
TPSA90.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-6-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135778678
1-(2,4-dimethylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 23941120
5-ethoxy-2-[(4-morpholin-4-ylsulfonylphenyl)iminomethyl]phenol
CID 135812287
1-(2-methylphenyl)-N-(4-piperidin-1-ylsulfonylphenyl)methanimine
CID 910303
N-(4-piperidin-1-ylsulfonylphenyl)-1-thiophen-3-ylmethanimine
CID 23819949
1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626
5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135595128
1-(4-chlorophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 969315
5-chloro-2-[[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)phenyl]iminomethyl]phenol
CID 136703213
N-[4-(azepan-1-ylsulfonyl)phenyl]-1-(4-methoxyphenyl)methanimine
CID 4511187
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135595201

Frequently Asked Questions

What is the IUPAC name of 4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol?
The IUPAC name of 4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol (CID 4512993) is 4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol?
The canonical SMILES for 4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol is O=S(=O)(c1ccc(/N=C/c2ccc(O)cc2O)cc1)N1CCCCC1.
What is the InChIKey of 4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol?
The InChIKey is ZLIIASIRADGKFT-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-16-7-4-14(18(22)12-16)13-19-15-5-8-17(9-6-15)25(23,24)20-10-2-1-3-11-20/h4-9,12-13,21-22H,1-3,10-11H2/b19-13+.
What are the key properties of 4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol?
4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol has a molecular weight of 360.44 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol is sourced from PubChem (CID 4512993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).