4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide

C21H17NO5S — CID 68660328

IUPAC4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide
SMILESO=C(C=Cc1ccccc1O)c1cccc(NS(=O)(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C21H17NO5S/c23-18-9-11-19(12-10-18)28(26,27)22-17-6-3-5-16(14-17)21(25)13-8-15-4-1-2-7-20(15)24/h1-14,22-24H
InChIKeyBRFZMEOMVGQBES-UHFFFAOYSA-N
MW395.44 g/mol
LogP3.79
Rot. Bonds6

About 4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide

4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide (PubChem CID 68660328) has the molecular formula C21H17NO5S and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide
PubChem CID68660328
Molecular FormulaC21H17NO5S
Molecular Weight395.44 g/mol
Exact Mass395.08
IUPAC Name4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide
SMILESO=C(C=Cc1ccccc1O)c1cccc(NS(=O)(=O)c2ccc(O)cc2)c1
InChIInChI=1S/C21H17NO5S/c23-18-9-11-19(12-10-18)28(26,27)22-17-6-3-5-16(14-17)21(25)13-8-15-4-1-2-7-20(15)24/h1-14,22-24H
InChIKeyBRFZMEOMVGQBES-UHFFFAOYSA-N
XLogP3.79
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
CID 68660292
N-[4-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-3-[3-[[4-[(E)-3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]sulfamoyl]benzoyl]benzenesulfonamide
CID 10819051
4-chloro-N-[3-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]benzenesulfonamide
CID 164991541
3-[[4-[(E)-2-carboxyethenyl]phenyl]sulfonylamino]benzoic acid
CID 673258
(E)-1-(3,4-dihydroxyphenyl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 71462728
3-hydroxy-N-[2-hydroxy-3-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]benzenesulfonamide
CID 68828817
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
4-[(3-hydroxyphenyl)sulfamoyl]benzoic acid
CID 25035947
N-[3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]acetamide
CID 8858697
3-[(3-carboxylatophenyl)sulfonylamino]benzoate
CID 4517286
3-[(4-chlorophenyl)sulfonylamino]benzoic acid
CID 773554
N-[4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]phenyl]-3-nitrobenzenesulfonamide
CID 24989954

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide (CID 68660328) is 4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide is O=C(C=Cc1ccccc1O)c1cccc(NS(=O)(=O)c2ccc(O)cc2)c1.
What is the InChIKey of 4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide?
The InChIKey is BRFZMEOMVGQBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO5S/c23-18-9-11-19(12-10-18)28(26,27)22-17-6-3-5-16(14-17)21(25)13-8-15-4-1-2-7-20(15)24/h1-14,22-24H.
What are the key properties of 4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide?
4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide has a molecular weight of 395.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 68660328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).