N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide

C17H19NO4S — CID 67568836

IUPACN-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-22-16-9-11-17(12-10-16)23(20,21)18-13-15(19)8-7-14-5-3-2-4-6-14/h2-12,15,18-19H,13H2,1H3/b8-7+
InChIKeyCQGPPHUKYJDTKC-BQYQJAHWSA-N
MW333.41 g/mol
LogP2.05
Rot. Bonds7

About N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide

N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide (PubChem CID 67568836) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide
PubChem CID67568836
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC NameN-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NCC(O)/C=C/c2ccccc2)cc1
InChIInChI=1S/C17H19NO4S/c1-22-16-9-11-17(12-10-16)23(20,21)18-13-15(19)8-7-14-5-3-2-4-6-14/h2-12,15,18-19H,13H2,1H3/b8-7+
InChIKeyCQGPPHUKYJDTKC-BQYQJAHWSA-N
XLogP2.05
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide (CID 67568836) is N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NCC(O)/C=C/c2ccccc2)cc1.
What is the InChIKey of N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide?
The InChIKey is CQGPPHUKYJDTKC-BQYQJAHWSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-22-16-9-11-17(12-10-16)23(20,21)18-13-15(19)8-7-14-5-3-2-4-6-14/h2-12,15,18-19H,13H2,1H3/b8-7+.
What are the key properties of N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide?
N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-hydroxy-4-phenylbut-3-enyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 67568836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).