methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate

C20H17NO5S — CID 148626002

IUPACmethyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N=Cc1c(OC)ccc2ccccc12
InChIInChI=1S/C20H17NO5S/c1-25-18-12-11-14-7-3-4-8-15(14)17(18)13-21-27(23,24)19-10-6-5-9-16(19)20(22)26-2/h3-13H,1-2H3
InChIKeyNHFDYRPDQGBQGA-UHFFFAOYSA-N
MW383.43 g/mol
LogP3.44
Rot. Bonds5

About methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate

methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate (PubChem CID 148626002) has the molecular formula C20H17NO5S and a molecular weight of 383.43 g/mol. Its IUPAC name is methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate
PubChem CID148626002
Molecular FormulaC20H17NO5S
Molecular Weight383.43 g/mol
Exact Mass383.08
IUPAC Namemethyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N=Cc1c(OC)ccc2ccccc12
InChIInChI=1S/C20H17NO5S/c1-25-18-12-11-14-7-3-4-8-15(14)17(18)13-21-27(23,24)19-10-6-5-9-16(19)20(22)26-2/h3-13H,1-2H3
InChIKeyNHFDYRPDQGBQGA-UHFFFAOYSA-N
XLogP3.44
TPSA82.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 708036
2-chloro-N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5396822
(E)-1-(2-methoxynaphthalen-1-yl)-N-trimethylsilylmethanimine
CID 15419490
ethyl N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]carbamate
CID 6898993
(E)-4-(2-methoxynaphthalen-1-yl)-2-oxobut-3-enoic acid
CID 82161137
methyl 2-azidosulfonylbenzoate
CID 25128429
N-[(2R)-butan-2-yl]-N'-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]oxamide
CID 8901324
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 169482467
N-[(Z)-(2-methoxynaphthalen-1-yl)methylideneamino]naphthalen-2-amine
CID 6024957
methyl 2-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]sulfinylbenzoate
CID 142507685
methyl 2-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoate
CID 7939248

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate?
The IUPAC name of methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate (CID 148626002) is methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate.
What is the SMILES notation for methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate?
The canonical SMILES for methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate is COC(=O)c1ccccc1S(=O)(=O)N=Cc1c(OC)ccc2ccccc12.
What is the InChIKey of methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate?
The InChIKey is NHFDYRPDQGBQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5S/c1-25-18-12-11-14-7-3-4-8-15(14)17(18)13-21-27(23,24)19-10-6-5-9-16(19)20(22)26-2/h3-13H,1-2H3.
What are the key properties of methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate?
methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate has a molecular weight of 383.43 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxynaphthalen-1-yl)methylideneamino]sulfonylbenzoate is sourced from PubChem (CID 148626002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).