N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide

C22H19F2NO2S — CID 11718265

IUPACN-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CC(=C(F)F)c2ccccc2)cc1
InChIInChI=1S/C22H19F2NO2S/c1-16-11-13-19(14-12-16)28(26,27)25-21-10-6-5-9-18(21)15-20(22(23)24)17-7-3-2-4-8-17/h2-14,25H,15H2,1H3
InChIKeyUYQJPSCKKZZTKI-UHFFFAOYSA-N
MW399.46 g/mol
LogP5.65
Rot. Bonds6

About N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide

N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide (PubChem CID 11718265) has the molecular formula C22H19F2NO2S and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide
PubChem CID11718265
Molecular FormulaC22H19F2NO2S
Molecular Weight399.46 g/mol
Exact Mass399.11
IUPAC NameN-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2CC(=C(F)F)c2ccccc2)cc1
InChIInChI=1S/C22H19F2NO2S/c1-16-11-13-19(14-12-16)28(26,27)25-21-10-6-5-9-18(21)15-20(22(23)24)17-7-3-2-4-8-17/h2-14,25H,15H2,1H3
InChIKeyUYQJPSCKKZZTKI-UHFFFAOYSA-N
XLogP5.65
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[2-[(4-methylphenyl)sulfonylamino]phenyl]urea
CID 170548847
N-[[2-[(4-methylphenyl)sulfonylamino]phenyl]methyl]prop-2-enamide
CID 57096689
4-methyl-N-[2-[2-[(4-methylphenyl)sulfonylamino]phenyl]phenyl]benzenesulfonamide
CID 1010988
4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide
CID 175305873
N-[2-[1-(3-fluorophenyl)ethenyl]phenyl]-4-methylbenzenesulfonamide
CID 175305884
2-methyl-N-[2-[(4-methylphenyl)sulfonylamino]phenyl]prop-2-enamide
CID 18668318
[4-[2-[(4-methylphenyl)sulfonylamino]anilino]phenyl] benzoate
CID 150106631
4-methyl-N-(1-phenylethenyl)benzenesulfonamide
CID 11471299
N-[3-hydroxy-2-[(4-methylphenyl)sulfonylamino]phenyl]-4-methylbenzenesulfonamide
CID 70133555
4-methyl-N-[2-[[2-[(4-methylphenyl)sulfonylamino]phenyl]diazenyl]phenyl]benzenesulfonamide
CID 102274853
N-[2-[chloro(phenyl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 172728368
N-(2,6-diethylphenyl)-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 3521473

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide (CID 11718265) is N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2CC(=C(F)F)c2ccccc2)cc1.
What is the InChIKey of N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide?
The InChIKey is UYQJPSCKKZZTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO2S/c1-16-11-13-19(14-12-16)28(26,27)25-21-10-6-5-9-18(21)15-20(22(23)24)17-7-3-2-4-8-17/h2-14,25H,15H2,1H3.
What are the key properties of N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide?
N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide has a molecular weight of 399.46 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoro-2-phenylprop-2-enyl)phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 11718265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).