N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide

C15H9Cl3FNO3S — CID 1181947

IUPACN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide
SMILESO=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H9Cl3FNO3S/c16-10-3-7-12(8-4-10)24(22,23)15(13(17)18)20-14(21)9-1-5-11(19)6-2-9/h1-8H,(H,20,21)
InChIKeyDXILVRQGGFVCFA-UHFFFAOYSA-N
MW408.67 g/mol
LogP4.29
Rot. Bonds4

About N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide

N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide (PubChem CID 1181947) has the molecular formula C15H9Cl3FNO3S and a molecular weight of 408.67 g/mol. Its IUPAC name is N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide
PubChem CID1181947
Molecular FormulaC15H9Cl3FNO3S
Molecular Weight408.67 g/mol
Exact Mass406.94
IUPAC NameN-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide
SMILESO=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C15H9Cl3FNO3S/c16-10-3-7-12(8-4-10)24(22,23)15(13(17)18)20-14(21)9-1-5-11(19)6-2-9/h1-8H,(H,20,21)
InChIKeyDXILVRQGGFVCFA-UHFFFAOYSA-N
XLogP4.29
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.67
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-N-(4-chlorobenzenesulfonyl)benzamide
CID 837182
N-(4-chlorophenyl)sulfonylbenzamide
CID 286220
3-chloro-N-(4-chlorophenyl)sulfonylbenzamide
CID 11174891
N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]benzamide
CID 1097565
3-[(4-Chlorophenyl)sulfonylmethyl]benzamide
CID 2819630
N-[2,2-Dichloro-1-(toluene-4-sulfonyl)-vinyl]-4-methyl-benzamide
CID 1070709
Benzamide, N-[2,2-dichloro-1-[(4-methylphenyl)sulfonyl]ethenyl]-
CID 1380035
N-(2-((4-Chlorophenyl)sulfonyl)ethyl)-4-fluorobenzenecarboxamide
CID 1476386
N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide
CID 4088432
N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-methylbenzamide
CID 4330749
4-methyl-N-(2,2,2-trichloro-1-((4-chlorophenyl)sulfonyl)ethyl)benzamide
CID 4569202
N-(2-(4-Chloro-phenylsulfanyl)-1-(toluene-4-sulfonyl)-vinyl)-benzamide
CID 1097571

Frequently Asked Questions

What is the IUPAC name of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide?
The IUPAC name of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide (CID 1181947) is N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide is O=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide?
The InChIKey is DXILVRQGGFVCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3FNO3S/c16-10-3-7-12(8-4-10)24(22,23)15(13(17)18)20-14(21)9-1-5-11(19)6-2-9/h1-8H,(H,20,21).
What are the key properties of N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide?
N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide has a molecular weight of 408.67 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-fluorobenzamide is sourced from PubChem (CID 1181947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).