1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol

C34H24N2O4S — CID 3516944

IUPAC1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol
SMILESO=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C34H24N2O4S/c37-33-19-9-23-5-1-3-7-29(23)31(33)21-35-25-11-15-27(16-12-25)41(39,40)28-17-13-26(14-18-28)36-22-32-30-8-4-2-6-24(30)10-20-34(32)38/h1-22,37-38H/b35-21+,36-22+
InChIKeyKVRFEHSUTMNNRW-JTOYJDTJSA-N
MW556.64 g/mol
LogP7.74
Rot. Bonds6

About 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol

1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol (PubChem CID 3516944) has the molecular formula C34H24N2O4S and a molecular weight of 556.64 g/mol. Its IUPAC name is 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol
PubChem CID3516944
Molecular FormulaC34H24N2O4S
Molecular Weight556.64 g/mol
Exact Mass556.15
IUPAC Name1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol
SMILESO=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1
InChIInChI=1S/C34H24N2O4S/c37-33-19-9-23-5-1-3-7-29(23)31(33)21-35-25-11-15-27(16-12-25)41(39,40)28-17-13-26(14-18-28)36-22-32-30-8-4-2-6-24(30)10-20-34(32)38/h1-22,37-38H/b35-21+,36-22+
InChIKeyKVRFEHSUTMNNRW-JTOYJDTJSA-N
XLogP7.74
TPSA99.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.64
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol?
The IUPAC name of 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol (CID 3516944) is 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol?
The canonical SMILES for 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol is O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1)c1ccc(/N=C/c2c(O)ccc3ccccc23)cc1.
What is the InChIKey of 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol?
The InChIKey is KVRFEHSUTMNNRW-JTOYJDTJSA-N. The full InChI is InChI=1S/C34H24N2O4S/c37-33-19-9-23-5-1-3-7-29(23)31(33)21-35-25-11-15-27(16-12-25)41(39,40)28-17-13-26(14-18-28)36-22-32-30-8-4-2-6-24(30)10-20-34(32)38/h1-22,37-38H/b35-21+,36-22+.
What are the key properties of 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol?
1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol has a molecular weight of 556.64 g/mol, XLogP of 7.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[(2-hydroxynaphthalen-1-yl)methylideneamino]phenyl]sulfonylphenyl]iminomethyl]naphthalen-2-ol is sourced from PubChem (CID 3516944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).