(E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride

C19H14ClNO3S — CID 22492487

IUPAC(E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride
SMILESO=C(Cl)/C=C/c1ccccc1S(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14ClNO3S/c20-19(22)13-12-15-7-2-4-11-18(15)25(23,24)21-17-10-5-8-14-6-1-3-9-16(14)17/h1-13,21H/b13-12+
InChIKeyJFNQHGIZGSHAMF-OUKQBFOZSA-N
MW371.85 g/mol
LogP4.42
Rot. Bonds5

About (E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride

(E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride (PubChem CID 22492487) has the molecular formula C19H14ClNO3S and a molecular weight of 371.85 g/mol. Its IUPAC name is (E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride.

Molecular Properties

Compound Name(E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride
PubChem CID22492487
Molecular FormulaC19H14ClNO3S
Molecular Weight371.85 g/mol
Exact Mass371.04
IUPAC Name(E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride
SMILESO=C(Cl)/C=C/c1ccccc1S(=O)(=O)Nc1cccc2ccccc12
InChIInChI=1S/C19H14ClNO3S/c20-19(22)13-12-15-7-2-4-11-18(15)25(23,24)21-17-10-5-8-14-6-1-3-9-16(14)17/h1-13,21H/b13-12+
InChIKeyJFNQHGIZGSHAMF-OUKQBFOZSA-N
XLogP4.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.85
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride?
The IUPAC name of (E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride (CID 22492487) is (E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride.
What is the SMILES notation for (E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride?
The canonical SMILES for (E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride is O=C(Cl)/C=C/c1ccccc1S(=O)(=O)Nc1cccc2ccccc12.
What is the InChIKey of (E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride?
The InChIKey is JFNQHGIZGSHAMF-OUKQBFOZSA-N. The full InChI is InChI=1S/C19H14ClNO3S/c20-19(22)13-12-15-7-2-4-11-18(15)25(23,24)21-17-10-5-8-14-6-1-3-9-16(14)17/h1-13,21H/b13-12+.
What are the key properties of (E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride?
(E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride has a molecular weight of 371.85 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(naphthalen-1-ylsulfamoyl)phenyl]prop-2-enoyl chloride is sourced from PubChem (CID 22492487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).