N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide

C24H20F3NO3S — CID 169040724

IUPACN-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC=Cc2ccccc2)c2ccc(C(F)(F)F)c(C=O)c2)cc1
InChIInChI=1S/C24H20F3NO3S/c1-18-9-12-22(13-10-18)32(30,31)28(15-5-8-19-6-3-2-4-7-19)21-11-14-23(24(25,26)27)20(16-21)17-29/h2-14,16-17H,15H2,1H3
InChIKeyXOEONMJJRXJQBN-UHFFFAOYSA-N
MW459.49 g/mol
LogP5.74
Rot. Bonds7

About N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide

N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide (PubChem CID 169040724) has the molecular formula C24H20F3NO3S and a molecular weight of 459.49 g/mol. Its IUPAC name is N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide
PubChem CID169040724
Molecular FormulaC24H20F3NO3S
Molecular Weight459.49 g/mol
Exact Mass459.11
IUPAC NameN-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(CC=Cc2ccccc2)c2ccc(C(F)(F)F)c(C=O)c2)cc1
InChIInChI=1S/C24H20F3NO3S/c1-18-9-12-22(13-10-18)32(30,31)28(15-5-8-19-6-3-2-4-7-19)21-11-14-23(24(25,26)27)20(16-21)17-29/h2-14,16-17H,15H2,1H3
InChIKeyXOEONMJJRXJQBN-UHFFFAOYSA-N
XLogP5.74
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.49
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-formylphenyl)-N-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-4-methylbenzenesulfonamide
CID 169040650
4-methyl-N-[2-(2-phenylethynyl)phenyl]-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 177481573
4-tert-butyl-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 42696245
4-methyl-N,N-bis[(E)-3-phenylprop-2-enyl]aniline
CID 10617075
4-methyl-N-[(E)-3-phenylprop-2-enyl]-N-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]benzenesulfonamide
CID 101398637
N-[[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 3128302
2-[[(E)-3-(3-methylphenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium
CID 154710071
2-[[(E)-3-(4-fluorophenyl)prop-2-enyl]-(4-methylphenyl)sulfonylamino]benzenediazonium
CID 154709950
4-methyl-N-(4-methylpenta-2,3-dienyl)-N-[(E)-3-phenylprop-2-enyl]benzenesulfonamide
CID 46188827
2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 124535099
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-[2,5-dimethyl-1-[2-(trifluoromethyl)phenyl]pyrrol-3-yl]methylideneamino]acetamide
CID 99655109
N-benzyl-N-(3-fluoro-4-methylphenyl)-4-methylbenzenesulfonamide
CID 46014799

Frequently Asked Questions

What is the IUPAC name of N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide?
The IUPAC name of N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide (CID 169040724) is N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(CC=Cc2ccccc2)c2ccc(C(F)(F)F)c(C=O)c2)cc1.
What is the InChIKey of N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide?
The InChIKey is XOEONMJJRXJQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO3S/c1-18-9-12-22(13-10-18)32(30,31)28(15-5-8-19-6-3-2-4-7-19)21-11-14-23(24(25,26)27)20(16-21)17-29/h2-14,16-17H,15H2,1H3.
What are the key properties of N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide?
N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide has a molecular weight of 459.49 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-formyl-4-(trifluoromethyl)phenyl]-4-methyl-N-(3-phenylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 169040724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).