N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide

C21H19NO3S — CID 24749657

IUPACN-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C=C/c2ccccc2O)cc1
InChIInChI=1S/C21H19NO3S/c1-16-10-14-19(15-11-16)26(24,25)22-20-8-4-2-6-17(20)12-13-18-7-3-5-9-21(18)23/h2-15,22-23H,1H3/b13-12+
InChIKeyIWULNYZKDKLLSB-OUKQBFOZSA-N
MW365.45 g/mol
LogP4.67
Rot. Bonds5

About N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide

N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 24749657) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID24749657
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC NameN-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2/C=C/c2ccccc2O)cc1
InChIInChI=1S/C21H19NO3S/c1-16-10-14-19(15-11-16)26(24,25)22-20-8-4-2-6-17(20)12-13-18-7-3-5-9-21(18)23/h2-15,22-23H,1H3/b13-12+
InChIKeyIWULNYZKDKLLSB-OUKQBFOZSA-N
XLogP4.67
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide (CID 24749657) is N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2/C=C/c2ccccc2O)cc1.
What is the InChIKey of N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is IWULNYZKDKLLSB-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-16-10-14-19(15-11-16)26(24,25)22-20-8-4-2-6-17(20)12-13-18-7-3-5-9-21(18)23/h2-15,22-23H,1H3/b13-12+.
What are the key properties of N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide?
N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 365.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-2-(2-hydroxyphenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 24749657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).