2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine

C18H17Cl2NO2S — CID 4309248

IUPAC2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine
SMILESCN(C)C=C(c1ccc(Cl)cc1)S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO2S/c1-21(2)13-18(15-5-9-17(20)10-6-15)24(22,23)12-11-14-3-7-16(19)8-4-14/h3-13H,1-2H3
InChIKeyYDFVPOSVHQGBKJ-UHFFFAOYSA-N
MW382.31 g/mol
LogP4.94
Rot. Bonds5

About 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine

2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine (PubChem CID 4309248) has the molecular formula C18H17Cl2NO2S and a molecular weight of 382.31 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine
PubChem CID4309248
Molecular FormulaC18H17Cl2NO2S
Molecular Weight382.31 g/mol
Exact Mass381.04
IUPAC Name2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine
SMILESCN(C)C=C(c1ccc(Cl)cc1)S(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H17Cl2NO2S/c1-21(2)13-18(15-5-9-17(20)10-6-15)24(22,23)12-11-14-3-7-16(19)8-4-14/h3-13H,1-2H3
InChIKeyYDFVPOSVHQGBKJ-UHFFFAOYSA-N
XLogP4.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 4-[(E)-2-(4-chlorophenyl)sulfonylethenyl]benzoate
CID 102342332
(Z)-4-(4-fluorophenyl)-4-[2-(4-fluorophenyl)ethenylsulfonyl]but-3-en-2-one
CID 173173870
1-[(E)-2-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethenyl]-4-methylbenzene
CID 14929190
(E)-2-(4-chlorophenyl)-N-methyl-N-phenylethenesulfonamide
CID 51169798
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylacetohydrazide
CID 8500743
(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide
CID 113285734
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
N'-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylethanimidamide
CID 23469620
(1E,4Z)-1-(4-chlorophenyl)-5-(dimethylamino)penta-1,4-dien-3-one
CID 92898014
methyl 4-[(E)-2-[(4-chlorophenyl)methylsulfonyl]ethenyl]benzoate
CID 89368182
4-[[(E)-2-(4-chlorophenyl)ethenyl]sulfonylamino]benzamide
CID 6213409
1-(4-chlorophenyl)-3-(dimethylamino)-2-pyridin-4-ylprop-2-en-1-one
CID 54077613

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine?
The IUPAC name of 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine (CID 4309248) is 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine?
The canonical SMILES for 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine is CN(C)C=C(c1ccc(Cl)cc1)S(=O)(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine?
The InChIKey is YDFVPOSVHQGBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO2S/c1-21(2)13-18(15-5-9-17(20)10-6-15)24(22,23)12-11-14-3-7-16(19)8-4-14/h3-13H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine?
2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine has a molecular weight of 382.31 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[2-(4-chlorophenyl)ethenylsulfonyl]-N,N-dimethylethenamine is sourced from PubChem (CID 4309248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).