(E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide

C16H12ClNO4S — CID 90481161

IUPAC(E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide
SMILESO=C1OCc2cc(NS(=O)(=O)/C=C/c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C16H12ClNO4S/c17-13-3-1-11(2-4-13)7-8-23(20,21)18-14-5-6-15-12(9-14)10-22-16(15)19/h1-9,18H,10H2/b8-7+
InChIKeyDJLZRPHSKGKUIF-BQYQJAHWSA-N
MW349.80 g/mol
LogP3.42
Rot. Bonds4

About (E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide (PubChem CID 90481161) has the molecular formula C16H12ClNO4S and a molecular weight of 349.80 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide
PubChem CID90481161
Molecular FormulaC16H12ClNO4S
Molecular Weight349.80 g/mol
Exact Mass349.02
IUPAC Name(E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide
SMILESO=C1OCc2cc(NS(=O)(=O)/C=C/c3ccc(Cl)cc3)ccc21
InChIInChI=1S/C16H12ClNO4S/c17-13-3-1-11(2-4-13)7-8-23(20,21)18-14-5-6-15-12(9-14)10-22-16(15)19/h1-9,18H,10H2/b8-7+
InChIKeyDJLZRPHSKGKUIF-BQYQJAHWSA-N
XLogP3.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide (CID 90481161) is (E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide is O=C1OCc2cc(NS(=O)(=O)/C=C/c3ccc(Cl)cc3)ccc21.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide?
The InChIKey is DJLZRPHSKGKUIF-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H12ClNO4S/c17-13-3-1-11(2-4-13)7-8-23(20,21)18-14-5-6-15-12(9-14)10-22-16(15)19/h1-9,18H,10H2/b8-7+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide has a molecular weight of 349.80 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-(1-oxo-3H-2-benzofuran-5-yl)ethenesulfonamide is sourced from PubChem (CID 90481161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).