2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde

C18H19NO4S — CID 53220683

IUPAC2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde
SMILESO=Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1O
InChIInChI=1S/C18H19NO4S/c20-13-16-12-15(6-9-18(16)21)14-4-7-17(8-5-14)24(22,23)19-10-2-1-3-11-19/h4-9,12-13,21H,1-3,10-11H2
InChIKeyZYBBMAOSCFUNEQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.05
Rot. Bonds4

About 2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde

2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde (PubChem CID 53220683) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde
PubChem CID53220683
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Name2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde
SMILESO=Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1O
InChIInChI=1S/C18H19NO4S/c20-13-16-12-15(6-9-18(16)21)14-4-7-17(8-5-14)24(22,23)19-10-2-1-3-11-19/h4-9,12-13,21H,1-3,10-11H2
InChIKeyZYBBMAOSCFUNEQ-UHFFFAOYSA-N
XLogP3.05
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(4-piperidin-1-ylsulfonylphenyl)phenol
CID 53221589
2-hydroxy-4-(3-pyrrolidin-1-ylsulfonylphenyl)benzaldehyde
CID 53220672
2-hydroxy-4-(4-pyrrolidin-1-ylsulfonylphenyl)benzonitrile
CID 53220260
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
2-methyl-4-piperidin-1-ylsulfonylphenol
CID 138059728
CID 87885081
CID 87885081
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
3-hydroxy-5-(4-pyrrolidin-1-ylsulfonylphenyl)benzoic acid
CID 53228964
4-[4-(azepan-1-ylsulfonyl)phenyl]sulfonylpiperazine-1-carbaldehyde
CID 1433317
3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 46385925
1-[4-[5-[4-(azepan-1-ylsulfonyl)phenyl]furan-2-yl]phenyl]sulfonylazepane
CID 50875581
4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde?
The IUPAC name of 2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde (CID 53220683) is 2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde is O=Cc1cc(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde?
The InChIKey is ZYBBMAOSCFUNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c20-13-16-12-15(6-9-18(16)21)14-4-7-17(8-5-14)24(22,23)19-10-2-1-3-11-19/h4-9,12-13,21H,1-3,10-11H2.
What are the key properties of 2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde?
2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde has a molecular weight of 345.42 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(4-piperidin-1-ylsulfonylphenyl)benzaldehyde is sourced from PubChem (CID 53220683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).