2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride

C16H15Cl2NO5S — CID 46204746

IUPAC2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride
SMILESCOc1ccc2ccccc2c1S(=O)(=O)NC(CCC(=O)Cl)C(=O)Cl
InChIInChI=1S/C16H15Cl2NO5S/c1-24-13-8-6-10-4-2-3-5-11(10)15(13)25(22,23)19-12(16(18)21)7-9-14(17)20/h2-6,8,12,19H,7,9H2,1H3
InChIKeyMEDMVFHUMHFXAM-UHFFFAOYSA-N
MW404.27 g/mol
LogP2.81
Rot. Bonds8

About 2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride

2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride (PubChem CID 46204746) has the molecular formula C16H15Cl2NO5S and a molecular weight of 404.27 g/mol. Its IUPAC name is 2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride.

Molecular Properties

Compound Name2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride
PubChem CID46204746
Molecular FormulaC16H15Cl2NO5S
Molecular Weight404.27 g/mol
Exact Mass403.00
IUPAC Name2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride
SMILESCOc1ccc2ccccc2c1S(=O)(=O)NC(CCC(=O)Cl)C(=O)Cl
InChIInChI=1S/C16H15Cl2NO5S/c1-24-13-8-6-10-4-2-3-5-11(10)15(13)25(22,23)19-12(16(18)21)7-9-14(17)20/h2-6,8,12,19H,7,9H2,1H3
InChIKeyMEDMVFHUMHFXAM-UHFFFAOYSA-N
XLogP2.81
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.27
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride?
The IUPAC name of 2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride (CID 46204746) is 2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride.
What is the SMILES notation for 2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride?
The canonical SMILES for 2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride is COc1ccc2ccccc2c1S(=O)(=O)NC(CCC(=O)Cl)C(=O)Cl.
What is the InChIKey of 2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride?
The InChIKey is MEDMVFHUMHFXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO5S/c1-24-13-8-6-10-4-2-3-5-11(10)15(13)25(22,23)19-12(16(18)21)7-9-14(17)20/h2-6,8,12,19H,7,9H2,1H3.
What are the key properties of 2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride?
2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride has a molecular weight of 404.27 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxynaphthalen-1-yl)sulfonylamino]pentanedioyl dichloride is sourced from PubChem (CID 46204746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).