1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol

C22H22N2O3S — CID 135595207

IUPAC1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
SMILESO=S(=O)(c1cccc(/N=C/c2c(O)ccc3ccccc23)c1)N1CCCCC1
InChIInChI=1S/C22H22N2O3S/c25-22-12-11-17-7-2-3-10-20(17)21(22)16-23-18-8-6-9-19(15-18)28(26,27)24-13-4-1-5-14-24/h2-3,6-12,15-16,25H,1,4-5,13-14H2/b23-16+
InChIKeyZAHGBGQDSPIJRP-XQNSMLJCSA-N
MW394.50 g/mol
LogP4.47
Rot. Bonds4

About 1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol

1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 135595207) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID135595207
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
SMILESO=S(=O)(c1cccc(/N=C/c2c(O)ccc3ccccc23)c1)N1CCCCC1
InChIInChI=1S/C22H22N2O3S/c25-22-12-11-17-7-2-3-10-20(17)21(22)16-23-18-8-6-9-19(15-18)28(26,27)24-13-4-1-5-14-24/h2-3,6-12,15-16,25H,1,4-5,13-14H2/b23-16+
InChIKeyZAHGBGQDSPIJRP-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'}

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Related Compounds

1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 5178626
3-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
CID 135595779
4-nitro-2-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135595201
1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 3487622
5-propoxy-2-[(3-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]phenol
CID 135595128
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]ethanone
CID 540985
1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 4848902
N-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-N-methylmethanesulfonamide
CID 137151299
1-[3-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]-2-(4-methylpiperazin-1-yl)ethanone
CID 170861567
1-[(3,5-dimethylphenyl)iminomethyl]naphthalen-2-ol
CID 794532
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)naphthalene-1-carboxamide
CID 46652299
1-(diaminomethylidene)-2-(3-piperidin-1-ylsulfonylphenyl)guanidine
CID 168602495

Frequently Asked Questions

What is the IUPAC name of 1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol (CID 135595207) is 1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol is O=S(=O)(c1cccc(/N=C/c2c(O)ccc3ccccc23)c1)N1CCCCC1.
What is the InChIKey of 1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is ZAHGBGQDSPIJRP-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H22N2O3S/c25-22-12-11-17-7-2-3-10-20(17)21(22)16-23-18-8-6-9-19(15-18)28(26,27)24-13-4-1-5-14-24/h2-3,6-12,15-16,25H,1,4-5,13-14H2/b23-16+.
What are the key properties of 1-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
1-[(3-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-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 135595207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).