(NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide

C22H18ClNO3S — CID 24796613

IUPAC(NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C(/C=C/c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClNO3S/c1-27-20-12-14-21(15-13-20)28(25,26)24-22(18-8-10-19(23)11-9-18)16-7-17-5-3-2-4-6-17/h2-16H,1H3/b16-7+,24-22-
InChIKeyNVLHFUAESDZFIB-WMFBQPAZSA-N
MW411.91 g/mol
LogP5.24
Rot. Bonds6

About (NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide

(NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide (PubChem CID 24796613) has the molecular formula C22H18ClNO3S and a molecular weight of 411.91 g/mol. Its IUPAC name is (NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name(NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide
PubChem CID24796613
Molecular FormulaC22H18ClNO3S
Molecular Weight411.91 g/mol
Exact Mass411.07
IUPAC Name(NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C(/C=C/c2ccccc2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H18ClNO3S/c1-27-20-12-14-21(15-13-20)28(25,26)24-22(18-8-10-19(23)11-9-18)16-7-17-5-3-2-4-6-17/h2-16H,1H3/b16-7+,24-22-
InChIKeyNVLHFUAESDZFIB-WMFBQPAZSA-N
XLogP5.24
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.91
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide?
The IUPAC name of (NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide (CID 24796613) is (NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide.
What is the SMILES notation for (NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide?
The canonical SMILES for (NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)/N=C(/C=C/c2ccccc2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide?
The InChIKey is NVLHFUAESDZFIB-WMFBQPAZSA-N. The full InChI is InChI=1S/C22H18ClNO3S/c1-27-20-12-14-21(15-13-20)28(25,26)24-22(18-8-10-19(23)11-9-18)16-7-17-5-3-2-4-6-17/h2-16H,1H3/b16-7+,24-22-.
What are the key properties of (NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide?
(NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide has a molecular weight of 411.91 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(E)-1-(4-chlorophenyl)-3-phenylprop-2-enylidene]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 24796613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).