N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide

C15H10Cl3NO3S — CID 3528862

IUPACN-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide
SMILESO=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl3NO3S/c16-11-8-6-10(7-9-11)14(20)19-15(13(17)18)23(21,22)12-4-2-1-3-5-12/h1-9H,(H,19,20)
InChIKeyMCXDBOBKRAKSSA-UHFFFAOYSA-N
MW390.68 g/mol
LogP4.15
Rot. Bonds4

About N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide

N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide (PubChem CID 3528862) has the molecular formula C15H10Cl3NO3S and a molecular weight of 390.68 g/mol. Its IUPAC name is N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide
PubChem CID3528862
Molecular FormulaC15H10Cl3NO3S
Molecular Weight390.68 g/mol
Exact Mass388.94
IUPAC NameN-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide
SMILESO=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C15H10Cl3NO3S/c16-11-8-6-10(7-9-11)14(20)19-15(13(17)18)23(21,22)12-4-2-1-3-5-12/h1-9H,(H,19,20)
InChIKeyMCXDBOBKRAKSSA-UHFFFAOYSA-N
XLogP4.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.68
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2,4-dichlorobenzoyl]phenylsulfonamide
CID 9968373
4-Chloro-N-(4-chlorobenzenesulfonyl)benzamide
CID 837182
N-(2-Chloro-1-(toluene-4-sulfonyl)-vinyl)-benzamide
CID 2134372
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-[2,2-dichloro-1-(4-chlorophenyl)sulfonylethenyl]-4-methylbenzamide
CID 4088432
N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-methylbenzamide
CID 4330749
2,4-Dichloro-N-[2,2,2-trichloro-1-(phenylsulfonyl)ethyl]benzamide
CID 599621
4-Chloro-N-(4-methylbenzenesulfonyl)benzamide
CID 766165
N-(2-(4-Chloro-phenylsulfanyl)-1-(toluene-4-sulfonyl)-vinyl)-benzamide
CID 1097571

Frequently Asked Questions

What is the IUPAC name of N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide?
The IUPAC name of N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide (CID 3528862) is N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide?
The canonical SMILES for N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide is O=C(NC(=C(Cl)Cl)S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide?
The InChIKey is MCXDBOBKRAKSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3NO3S/c16-11-8-6-10(7-9-11)14(20)19-15(13(17)18)23(21,22)12-4-2-1-3-5-12/h1-9H,(H,19,20).
What are the key properties of N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide?
N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide has a molecular weight of 390.68 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzenesulfonyl)-2,2-dichloroethenyl]-4-chlorobenzamide is sourced from PubChem (CID 3528862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).