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

C22H19NO4S — CID 68660292

IUPACN-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)C=Cc3ccccc3O)cc2)cc1
InChIInChI=1S/C22H19NO4S/c1-16-6-13-20(14-7-16)28(26,27)23-19-11-8-18(9-12-19)22(25)15-10-17-4-2-3-5-21(17)24/h2-15,23-24H,1H3
InChIKeySIUDUBHPTJEPPP-UHFFFAOYSA-N
MW393.46 g/mol
LogP4.40
Rot. Bonds6

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

N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 68660292) has the molecular formula C22H19NO4S and a molecular weight of 393.46 g/mol. Its IUPAC name is N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID68660292
Molecular FormulaC22H19NO4S
Molecular Weight393.46 g/mol
Exact Mass393.10
IUPAC NameN-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(C(=O)C=Cc3ccccc3O)cc2)cc1
InChIInChI=1S/C22H19NO4S/c1-16-6-13-20(14-7-16)28(26,27)23-19-11-8-18(9-12-19)22(25)15-10-17-4-2-3-5-21(17)24/h2-15,23-24H,1H3
InChIKeySIUDUBHPTJEPPP-UHFFFAOYSA-N
XLogP4.40
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 135606823
4-hydroxy-N-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]benzenesulfonamide
CID 68660328
1-(4-methylphenyl)sulfonyl-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
CID 16734960
4-[(4-methylphenyl)sulfonylamino]benzamide
CID 837332
(E)-3-(2-methylphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564974
N-(4-methylphenyl)-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 2687815
N-[4-[(Z)-2-hydroxy-3-phenylprop-2-enoyl]phenyl]-4-methylbenzenesulfonamide
CID 69404472
4-chloro-N-[3-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]benzenesulfonamide
CID 164991541
(E)-N-hydroxy-3-[4-[(4-methylphenyl)sulfamoyl]phenyl]prop-2-enamide
CID 10914552
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
(E)-3-(2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 19564972

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide (CID 68660292) is N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C=Cc3ccccc3O)cc2)cc1.
What is the InChIKey of N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is SIUDUBHPTJEPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4S/c1-16-6-13-20(14-7-16)28(26,27)23-19-11-8-18(9-12-19)22(25)15-10-17-4-2-3-5-21(17)24/h2-15,23-24H,1H3.
What are the key properties of N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide?
N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 393.46 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 68660292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).