N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide

C17H10ClF6NO3S — CID 15603962

IUPACN-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)/C=C/c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C17H10ClF6NO3S/c18-12-3-1-2-10(8-12)6-7-29(27,28)25-15(26)13-5-4-11(16(19,20)21)9-14(13)17(22,23)24/h1-9H,(H,25,26)/b7-6+
InChIKeyIMNMUMQBQRXLGY-VOTSOKGWSA-N
MW457.78 g/mol
LogP5.11
Rot. Bonds4

About N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide

N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide (PubChem CID 15603962) has the molecular formula C17H10ClF6NO3S and a molecular weight of 457.78 g/mol. Its IUPAC name is N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide
PubChem CID15603962
Molecular FormulaC17H10ClF6NO3S
Molecular Weight457.78 g/mol
Exact Mass457.00
IUPAC NameN-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide
SMILESO=C(NS(=O)(=O)/C=C/c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C17H10ClF6NO3S/c18-12-3-1-2-10(8-12)6-7-29(27,28)25-15(26)13-5-4-11(16(19,20)21)9-14(13)17(22,23)24/h1-9H,(H,25,26)/b7-6+
InChIKeyIMNMUMQBQRXLGY-VOTSOKGWSA-N
XLogP5.11
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.78
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide (CID 15603962) is N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide is O=C(NS(=O)(=O)/C=C/c1cccc(Cl)c1)c1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide?
The InChIKey is IMNMUMQBQRXLGY-VOTSOKGWSA-N. The full InChI is InChI=1S/C17H10ClF6NO3S/c18-12-3-1-2-10(8-12)6-7-29(27,28)25-15(26)13-5-4-11(16(19,20)21)9-14(13)17(22,23)24/h1-9H,(H,25,26)/b7-6+.
What are the key properties of N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide?
N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide has a molecular weight of 457.78 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(3-chlorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 15603962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).