(E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane

C119H106Cl9FN4O12S5 — CID 161070061

IUPAC(E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane
SMILESC.Cc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)/C=C/c2cccc(Cl)c2)cc1Cl.Cc1cccc(COc2cccc(CS(=O)(=O)/C=C/c3cccc(Cl)c3)c2)c1.Cc1cccc(COc2cccc(N(Cc3cccc(Cl)c3)S(=O)(=O)/C=C/c3cccc(Cl)c3)c2)c1.Cc1cccc(N(Cc2cccc(Cl)c2)S(=O)(=O)/C=C/c2cccc(Cl)c2)c1.Cc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C29H25Cl2NO3S.C23H21ClO3S.C22H18Cl3NO2S.C22H19Cl2NO2S.C22H19ClFNO2S.CH4/c1-22-6-2-9-25(16-22)21-35-29-13-5-12-28(19-29)32(20-24-8-4-11-27(31)18-24)36(33,34)15-14-23-7-3-10-26(30)17-23;1-18-5-2-7-20(13-18)16-27-23-10-4-8-21(15-23)17-28(25,26)12-11-19-6-3-9-22(24)14-19;1-16-8-9-18(13-22(16)25)15-26(21-7-3-6-20(24)14-21)29(27,28)11-10-17-4-2-5-19(23)12-17;2*1-17-5-2-10-22(13-17)25(16-19-7-4-9-21(24)15-19)28(26,27)12-11-18-6-3-8-20(23)14-18;/h2-19H,20-21H2,1H3;2-15H,16-17H2,1H3;2-14H,15H2,1H3;2*2-15H,16H2,1H3;1H4/b15-14+;12-11+;11-10+;2*12-11+;
InChIKeyUENRXZMVRQAKSG-TTWSMYFBSA-N
MW2282.58 g/mol
LogP33.40
Rot. Bonds34

About (E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane

(E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane (PubChem CID 161070061) has the molecular formula C119H106Cl9FN4O12S5 and a molecular weight of 2282.58 g/mol. Its IUPAC name is (E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane.

Molecular Properties

Compound Name(E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane
PubChem CID161070061
Molecular FormulaC119H106Cl9FN4O12S5
Molecular Weight2282.58 g/mol
Exact Mass2276.36
IUPAC Name(E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane
SMILESC.Cc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)/C=C/c2cccc(Cl)c2)cc1Cl.Cc1cccc(COc2cccc(CS(=O)(=O)/C=C/c3cccc(Cl)c3)c2)c1.Cc1cccc(COc2cccc(N(Cc3cccc(Cl)c3)S(=O)(=O)/C=C/c3cccc(Cl)c3)c2)c1.Cc1cccc(N(Cc2cccc(Cl)c2)S(=O)(=O)/C=C/c2cccc(Cl)c2)c1.Cc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)/C=C/c2cccc(Cl)c2)c1
InChIInChI=1S/C29H25Cl2NO3S.C23H21ClO3S.C22H18Cl3NO2S.C22H19Cl2NO2S.C22H19ClFNO2S.CH4/c1-22-6-2-9-25(16-22)21-35-29-13-5-12-28(19-29)32(20-24-8-4-11-27(31)18-24)36(33,34)15-14-23-7-3-10-26(30)17-23;1-18-5-2-7-20(13-18)16-27-23-10-4-8-21(15-23)17-28(25,26)12-11-19-6-3-9-22(24)14-19;1-16-8-9-18(13-22(16)25)15-26(21-7-3-6-20(24)14-21)29(27,28)11-10-17-4-2-5-19(23)12-17;2*1-17-5-2-10-22(13-17)25(16-19-7-4-9-21(24)15-19)28(26,27)12-11-18-6-3-8-20(23)14-18;/h2-19H,20-21H2,1H3;2-15H,16-17H2,1H3;2-14H,15H2,1H3;2*2-15H,16H2,1H3;1H4/b15-14+;12-11+;11-10+;2*12-11+;
InChIKeyUENRXZMVRQAKSG-TTWSMYFBSA-N
XLogP33.40
TPSA202.12 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds34
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002282.58
LogP ≤ 533.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane?
The IUPAC name of (E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane (CID 161070061) is (E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane.
What is the SMILES notation for (E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane?
The canonical SMILES for (E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane is C.Cc1ccc(CN(c2cccc(Cl)c2)S(=O)(=O)/C=C/c2cccc(Cl)c2)cc1Cl.Cc1cccc(COc2cccc(CS(=O)(=O)/C=C/c3cccc(Cl)c3)c2)c1.Cc1cccc(COc2cccc(N(Cc3cccc(Cl)c3)S(=O)(=O)/C=C/c3cccc(Cl)c3)c2)c1.Cc1cccc(N(Cc2cccc(Cl)c2)S(=O)(=O)/C=C/c2cccc(Cl)c2)c1.Cc1cccc(N(Cc2cccc(F)c2)S(=O)(=O)/C=C/c2cccc(Cl)c2)c1.
What is the InChIKey of (E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane?
The InChIKey is UENRXZMVRQAKSG-TTWSMYFBSA-N. The full InChI is InChI=1S/C29H25Cl2NO3S.C23H21ClO3S.C22H18Cl3NO2S.C22H19Cl2NO2S.C22H19ClFNO2S.CH4/c1-22-6-2-9-25(16-22)21-35-29-13-5-12-28(19-29)32(20-24-8-4-11-27(31)18-24)36(33,34)15-14-23-7-3-10-26(30)17-23;1-18-5-2-7-20(13-18)16-27-23-10-4-8-21(15-23)17-28(25,26)12-11-19-6-3-9-22(24)14-19;1-16-8-9-18(13-22(16)25)15-26(21-7-3-6-20(24)14-21)29(27,28)11-10-17-4-2-5-19(23)12-17;2*1-17-5-2-10-22(13-17)25(16-19-7-4-9-21(24)15-19)28(26,27)12-11-18-6-3-8-20(23)14-18;/h2-19H,20-21H2,1H3;2-15H,16-17H2,1H3;2-14H,15H2,1H3;2*2-15H,16H2,1H3;1H4/b15-14+;12-11+;11-10+;2*12-11+;.
What are the key properties of (E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane?
(E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane has a molecular weight of 2282.58 g/mol, XLogP of 33.40, 34 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3-chloro-4-methylphenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;(E)-2-(3-chlorophenyl)-N-[(3-chlorophenyl)methyl]-N-[3-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide;1-[[3-[[(E)-2-(3-chlorophenyl)ethenyl]sulfonylmethyl]phenoxy]methyl]-3-methylbenzene;(E)-2-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]-N-(3-methylphenyl)ethenesulfonamide;methane is sourced from PubChem (CID 161070061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).