(E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide

C15H14ClNO4S — CID 8518747

IUPAC(E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H14ClNO4S/c1-21-15-7-6-13(10-14(15)18)17-22(19,20)9-8-11-2-4-12(16)5-3-11/h2-10,17-18H,1H3/b9-8+
InChIKeyNTKOCAZMDGTKCQ-CMDGGOBGSA-N
MW339.80 g/mol
LogP3.47
Rot. Bonds5

About (E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide

(E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide (PubChem CID 8518747) has the molecular formula C15H14ClNO4S and a molecular weight of 339.80 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide
PubChem CID8518747
Molecular FormulaC15H14ClNO4S
Molecular Weight339.80 g/mol
Exact Mass339.03
IUPAC Name(E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1O
InChIInChI=1S/C15H14ClNO4S/c1-21-15-7-6-13(10-14(15)18)17-22(19,20)9-8-11-2-4-12(16)5-3-11/h2-10,17-18H,1H3/b9-8+
InChIKeyNTKOCAZMDGTKCQ-CMDGGOBGSA-N
XLogP3.47
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.80
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide (CID 8518747) is (E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide is COc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1O.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide?
The InChIKey is NTKOCAZMDGTKCQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H14ClNO4S/c1-21-15-7-6-13(10-14(15)18)17-22(19,20)9-8-11-2-4-12(16)5-3-11/h2-10,17-18H,1H3/b9-8+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide has a molecular weight of 339.80 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-(3-hydroxy-4-methoxyphenyl)ethenesulfonamide is sourced from PubChem (CID 8518747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).