N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide

C18H15F4NO3S — CID 15603852

IUPACN-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC(=O)c2ccc(F)cc2C(F)(F)F)c(C)c1
InChIInChI=1S/C18H15F4NO3S/c1-11-3-4-13(12(2)9-11)7-8-27(25,26)23-17(24)15-6-5-14(19)10-16(15)18(20,21)22/h3-10H,1-2H3,(H,23,24)/b8-7+
InChIKeyJWJQTBMSHVOWLV-BQYQJAHWSA-N
MW401.38 g/mol
LogP4.19
Rot. Bonds4

About N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide

N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 15603852) has the molecular formula C18H15F4NO3S and a molecular weight of 401.38 g/mol. Its IUPAC name is N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide
PubChem CID15603852
Molecular FormulaC18H15F4NO3S
Molecular Weight401.38 g/mol
Exact Mass401.07
IUPAC NameN-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide
SMILESCc1ccc(/C=C/S(=O)(=O)NC(=O)c2ccc(F)cc2C(F)(F)F)c(C)c1
InChIInChI=1S/C18H15F4NO3S/c1-11-3-4-13(12(2)9-11)7-8-27(25,26)23-17(24)15-6-5-14(19)10-16(15)18(20,21)22/h3-10H,1-2H3,(H,23,24)/b8-7+
InChIKeyJWJQTBMSHVOWLV-BQYQJAHWSA-N
XLogP4.19
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 69433800
N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-2,4-dimethylbenzamide
CID 69431995
N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 69431084
4-bromo-2-chloro-N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonylbenzamide
CID 15603087
2,4-dimethyl-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
CID 68978128
(E)-2-(2,4-dimethylphenyl)ethenesulfonic acid
CID 18457020
2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide
CID 15603191
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701
1-[4-fluoro-2-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 117108344
2-bromo-4-fluoro-N-(trifluoromethylsulfonyl)benzamide
CID 135362392
(2,3,4,5,6-pentafluorophenyl) 4-fluoro-2-(trifluoromethyl)benzoate
CID 91730898
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide (CID 15603852) is N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide is Cc1ccc(/C=C/S(=O)(=O)NC(=O)c2ccc(F)cc2C(F)(F)F)c(C)c1.
What is the InChIKey of N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is JWJQTBMSHVOWLV-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H15F4NO3S/c1-11-3-4-13(12(2)9-11)7-8-27(25,26)23-17(24)15-6-5-14(19)10-16(15)18(20,21)22/h3-10H,1-2H3,(H,23,24)/b8-7+.
What are the key properties of N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide?
N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 401.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 15603852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).