(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;methane

C53H50Cl3NO6S2 — CID 159551705

IUPAC(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;methane
SMILESC.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
InChIInChI=1S/C29H25Cl2NO3S.C23H21ClO3S.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;/h2-19H,20-21H2,1H3;2-15H,16-17H2,1H3;1H4/b15-14+;12-11+;
InChIKeyMFMANVONKWGZAG-ZQYVBNFBSA-N
MW967.48 g/mol
LogP14.34
Rot. Bonds16

About (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;methane

(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;methane (PubChem CID 159551705) has the molecular formula C53H50Cl3NO6S2 and a molecular weight of 967.48 g/mol. Its IUPAC name is (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;methane.

Molecular Properties

Compound Name(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;methane
PubChem CID159551705
Molecular FormulaC53H50Cl3NO6S2
Molecular Weight967.48 g/mol
Exact Mass965.21
IUPAC Name(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;methane
SMILESC.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
InChIInChI=1S/C29H25Cl2NO3S.C23H21ClO3S.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;/h2-19H,20-21H2,1H3;2-15H,16-17H2,1H3;1H4/b15-14+;12-11+;
InChIKeyMFMANVONKWGZAG-ZQYVBNFBSA-N
XLogP14.34
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500967.48
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (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;methane with MolForge

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Related Compounds

(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
N-[(3-bromophenyl)methyl]-N,2-bis(3-chlorophenyl)ethenesulfonamide
CID 78103505
(E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide
CID 90395264
(E)-3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42303981
3-[3-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 20984640
(E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide
CID 166405005
1-chloro-3-[(3-methoxyphenyl)methoxy]benzene
CID 60627845
[3-[(3-chlorophenyl)methoxy]phenyl]methanol
CID 28562037
N-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22685923
(2Z)-6-[(3-chlorophenyl)methoxy]-2-[(4-methylphenyl)methylidene]-1-benzofuran-3-one
CID 19261025
(4Z)-4-[[3-[(3-chlorophenyl)methoxy]phenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 19664558
2-[(3-chlorophenyl)methylidene]-6-[(3-methoxyphenyl)methoxy]-1-benzofuran-3-one
CID 4861252

Frequently Asked Questions

What is the IUPAC name of (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;methane?
The IUPAC name of (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;methane (CID 159551705) is (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;methane.
What is the SMILES notation for (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;methane?
The canonical SMILES for (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;methane is C.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.
What is the InChIKey of (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;methane?
The InChIKey is MFMANVONKWGZAG-ZQYVBNFBSA-N. The full InChI is InChI=1S/C29H25Cl2NO3S.C23H21ClO3S.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;/h2-19H,20-21H2,1H3;2-15H,16-17H2,1H3;1H4/b15-14+;12-11+;.
What are the key properties of (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;methane?
(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;methane has a molecular weight of 967.48 g/mol, XLogP of 14.34, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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;methane is sourced from PubChem (CID 159551705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).