4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide

C14H13NO3S — CID 5472594

IUPAC4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C14H13NO3S/c15-19(17,18)14-9-5-12(6-10-14)2-1-11-3-7-13(16)8-4-11/h1-10,16H,(H2,15,17,18)/b2-1+
InChIKeyLPEYCTKZJDNFON-OWOJBTEDSA-N
MW275.33 g/mol
LogP2.21
Rot. Bonds3

About 4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide

4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide (PubChem CID 5472594) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide
PubChem CID5472594
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(/C=C/c2ccc(O)cc2)cc1
InChIInChI=1S/C14H13NO3S/c15-19(17,18)14-9-5-12(6-10-14)2-1-11-3-7-13(16)8-4-11/h1-10,16H,(H2,15,17,18)/b2-1+
InChIKeyLPEYCTKZJDNFON-OWOJBTEDSA-N
XLogP2.21
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenyl p-toluenesulfonate
CID 223146
4-Methylphenyl 4-methylbenzene-1-sulfonate
CID 347570
N'-(4-Hydroxybenzylidene)-4-methylbenzenesulfonohydrazide
CID 135442606
4-[2-(3-Hydroxyphenyl)ethynyl]benzenesulfonamide
CID 56670316
4-[2-(3,4-Dihydroxy-phenyl)-vinyl]-benzenesulfonamide
CID 5472597
4-((4-Methylphenyl)sulfonyl)phenol
CID 343812
[4-[(4-Hydroxyphenyl)methyl]phenyl] sulfamate
CID 21925110
p-Toluenesulfonic acid 4-(trifluoromethyl)phenyl ester
CID 11197854
4,4'-Dihydroxybenzyl sulfone
CID 53952360
4-Hydroxyphenyl 4-methyl-1-benzenesulfonate
CID 11043641
P-Tolyl benzenesulfinate
CID 3689967
4-Hydroxy-2-methylbenzene-1-sulfonamide
CID 45080608

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide?
The IUPAC name of 4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide (CID 5472594) is 4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide.
What is the SMILES notation for 4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide?
The canonical SMILES for 4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(/C=C/c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide?
The InChIKey is LPEYCTKZJDNFON-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H13NO3S/c15-19(17,18)14-9-5-12(6-10-14)2-1-11-3-7-13(16)8-4-11/h1-10,16H,(H2,15,17,18)/b2-1+.
What are the key properties of 4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide?
4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide has a molecular weight of 275.33 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-hydroxyphenyl)ethenyl]benzenesulfonamide is sourced from PubChem (CID 5472594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).