N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide

C16H10ClF4NO3S — CID 69431084

IUPACN-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)C=Cc1cccc(Cl)c1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C16H10ClF4NO3S/c17-11-3-1-2-10(8-11)6-7-26(24,25)22-15(23)13-5-4-12(18)9-14(13)16(19,20)21/h1-9H,(H,22,23)
InChIKeyWENZWVKQBSQXLM-UHFFFAOYSA-N
MW407.77 g/mol
LogP4.23
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide

N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 69431084) has the molecular formula C16H10ClF4NO3S and a molecular weight of 407.77 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
PubChem CID69431084
Molecular FormulaC16H10ClF4NO3S
Molecular Weight407.77 g/mol
Exact Mass407.00
IUPAC NameN-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)C=Cc1cccc(Cl)c1)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C16H10ClF4NO3S/c17-11-3-1-2-10(8-11)6-7-26(24,25)22-15(23)13-5-4-12(18)9-14(13)16(19,20)21/h1-9H,(H,22,23)
InChIKeyWENZWVKQBSQXLM-UHFFFAOYSA-N
XLogP4.23
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.77
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(E)-2-(2,4-dimethylphenyl)ethenyl]sulfonyl-4-fluoro-2-(trifluoromethyl)benzamide
CID 15603852
N-[2-(2,4-dimethylphenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 69433800
2-chloro-4-fluoro-N-[(E)-2-(3-methoxyphenyl)ethenyl]sulfonylbenzamide
CID 15603189
2,4-bis(trifluoromethyl)benzamide;(E)-2-(3-chlorophenyl)ethenesulfonic acid
CID 87831752
2-chloro-4-fluorobenzamide;2-(3-chlorophenyl)ethenesulfonic acid
CID 174564812
4-chloro-2-methyl-N-(2-phenylethenylsulfonyl)benzamide
CID 69433232
2-bromo-4-fluorobenzamide;2-(3-chlorophenyl)ethenesulfonic acid
CID 174564696
2-[2-(3-chlorophenyl)ethenylsulfonylcarbamoylamino]acetic acid
CID 54448013
2-chloro-4-fluoro-N-[(E)-2-(2-methoxyphenyl)ethenyl]sulfonylbenzamide
CID 15603191
2-bromo-4-fluoro-N-(2-thiophen-3-ylethenylsulfonyl)benzamide
CID 68978602
N-(6-chloro-1,2-benzoxazol-3-yl)-4-fluoro-2-(trifluoromethyl)benzamide
CID 67408394
4-Fluoro-2-(trifluoromethyl)benzoic acid, sodium salt
CID 178187701

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide (CID 69431084) is N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide is O=C(NS(=O)(=O)C=Cc1cccc(Cl)c1)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is WENZWVKQBSQXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF4NO3S/c17-11-3-1-2-10(8-11)6-7-26(24,25)22-15(23)13-5-4-12(18)9-14(13)16(19,20)21/h1-9H,(H,22,23).
What are the key properties of N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide?
N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 407.77 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethenylsulfonyl]-4-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 69431084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).