1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol

C22H22N2O3S — CID 1011516

IUPAC1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
SMILESO=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)N1CCCCC1
InChIInChI=1S/C22H22N2O3S/c25-22-13-8-17-6-2-3-7-20(17)21(22)16-23-18-9-11-19(12-10-18)28(26,27)24-14-4-1-5-15-24/h2-3,6-13,16,25H,1,4-5,14-15H2/b23-16+
InChIKeyRBFCISNFMKBGJM-XQNSMLJCSA-N
MW394.50 g/mol
LogP4.47
Rot. Bonds4

About 1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol

1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 1011516) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID1011516
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
SMILESO=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)N1CCCCC1
InChIInChI=1S/C22H22N2O3S/c25-22-13-8-17-6-2-3-7-20(17)21(22)16-23-18-9-11-19(12-10-18)28(26,27)24-14-4-1-5-15-24/h2-3,6-13,16,25H,1,4-5,14-15H2/b23-16+
InChIKeyRBFCISNFMKBGJM-XQNSMLJCSA-N
XLogP4.47
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol 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

(E)-4-((2-hydroxynaphthalen-1-yl)methyleneamino)-N-(1-phenylethyl)benzenesulfonamide
CID 135862920
4-[(2-Hydroxynaphthyl)methyl]-1-(phenylsulfonyl)piperazine
CID 1189875
1-[[4-(2-Phenylpropylsulfanyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236342
2-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
CID 135800240
1-[[2-(2-Phenylpropylsulfonyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236339
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
CID 136236341
1-[[2-(2-Phenylpropylsulfinyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236343
1-[[3-(2-Phenylpropylsulfinyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236344
1-[[4-(2-Phenylpropylsulfinyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236345
1-[[3-(2-Phenylpropylsulfonyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136236346
1-[[4-(2-Phenylpropylsulfonyl)phenyl]iminomethyl]naphthalen-2-ol
CID 136239048
N-[4-({2-[(2-hydroxy-1-naphthyl)methylene]hydrazino}sulfonyl)phenyl]acetamide
CID 135419866

Frequently Asked Questions

What is the IUPAC name of 1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol (CID 1011516) is 1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol is O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)N1CCCCC1.
What is the InChIKey of 1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is RBFCISNFMKBGJM-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-22-13-8-17-6-2-3-7-20(17)21(22)16-23-18-9-11-19(12-10-18)28(26,27)24-14-4-1-5-15-24/h2-3,6-13,16,25H,1,4-5,14-15H2/b23-16+.
What are the key properties of 1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 394.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 1011516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).