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

C21H20N2O3S — CID 5178626

IUPAC1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
SMILESO=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)N1CCCC1
InChIInChI=1S/C21H20N2O3S/c24-21-12-7-16-5-1-2-6-19(16)20(21)15-22-17-8-10-18(11-9-17)27(25,26)23-13-3-4-14-23/h1-2,5-12,15,24H,3-4,13-14H2/b22-15+
InChIKeyOZDGKEHMZXHXLM-PXLXIMEGSA-N
MW380.47 g/mol
LogP4.08
Rot. Bonds4

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

1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol (PubChem CID 5178626) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
PubChem CID5178626
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC Name1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
SMILESO=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)N1CCCC1
InChIInChI=1S/C21H20N2O3S/c24-21-12-7-16-5-1-2-6-19(16)20(21)15-22-17-8-10-18(11-9-17)27(25,26)23-13-3-4-14-23/h1-2,5-12,15,24H,3-4,13-14H2/b22-15+
InChIKeyOZDGKEHMZXHXLM-PXLXIMEGSA-N
XLogP4.08
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 54.08
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-[(3-piperidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 135595207
2-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylguanidine
CID 3878912
1-[(4-morpholin-4-ylphenyl)iminomethyl]naphthalen-2-ol
CID 790983
1-[(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 3487622
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenoxy]phenyl]iminomethyl]naphthalen-2-ol
CID 4545567
N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 136863496
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
1-[(4-methoxy-3-morpholin-4-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol
CID 4848902
1-(9-ethylcarbazol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 4570449
4-[(4-piperidin-1-ylsulfonylphenyl)iminomethyl]benzene-1,3-diol
CID 4512993
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 1039252
4-[(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(1-phenylethyl)benzenesulfonamide
CID 135862920

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol (CID 5178626) is 1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol is O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)N1CCCC1.
What is the InChIKey of 1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
The InChIKey is OZDGKEHMZXHXLM-PXLXIMEGSA-N. The full InChI is InChI=1S/C21H20N2O3S/c24-21-12-7-16-5-1-2-6-19(16)20(21)15-22-17-8-10-18(11-9-17)27(25,26)23-13-3-4-14-23/h1-2,5-12,15,24H,3-4,13-14H2/b22-15+.
What are the key properties of 1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol?
1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol has a molecular weight of 380.47 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyrrolidin-1-ylsulfonylphenyl)iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 5178626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).