(E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide

C22H20ClNO3S — CID 90395264

IUPAC(E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide
SMILESCc1cccc(COc2ccc(NS(=O)(=O)/C=C/c3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C22H20ClNO3S/c1-17-4-2-6-19(14-17)16-27-22-10-8-21(9-11-22)24-28(25,26)13-12-18-5-3-7-20(23)15-18/h2-15,24H,16H2,1H3/b13-12+
InChIKeyLTKMXFKKHXSKKH-OUKQBFOZSA-N
MW413.93 g/mol
LogP5.64
Rot. Bonds7

About (E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide

(E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide (PubChem CID 90395264) has the molecular formula C22H20ClNO3S and a molecular weight of 413.93 g/mol. Its IUPAC name is (E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide
PubChem CID90395264
Molecular FormulaC22H20ClNO3S
Molecular Weight413.93 g/mol
Exact Mass413.09
IUPAC Name(E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide
SMILESCc1cccc(COc2ccc(NS(=O)(=O)/C=C/c3cccc(Cl)c3)cc2)c1
InChIInChI=1S/C22H20ClNO3S/c1-17-4-2-6-19(14-17)16-27-22-10-8-21(9-11-22)24-28(25,26)13-12-18-5-3-7-20(23)15-18/h2-15,24H,16H2,1H3/b13-12+
InChIKeyLTKMXFKKHXSKKH-OUKQBFOZSA-N
XLogP5.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.93
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(3-methylphenyl)methoxy]phenyl]acetamide
CID 8522252
(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
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 2763529
N-[[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382750
(E)-3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 6065791
3-[4-[(3-chlorophenyl)methoxy]phenyl]prop-2-enamide
CID 175884852
(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
1-chloro-3-[(Z)-3-(4-methylphenoxy)prop-1-enyl]benzene
CID 54606183
1-chloro-3-[(4-methoxyphenoxy)methyl]benzene
CID 112788879
4-[(3-chlorophenyl)methoxy]-N-methylsulfonylbenzamide
CID 56644738
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide?
The IUPAC name of (E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide (CID 90395264) is (E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide.
What is the SMILES notation for (E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide?
The canonical SMILES for (E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide is Cc1cccc(COc2ccc(NS(=O)(=O)/C=C/c3cccc(Cl)c3)cc2)c1.
What is the InChIKey of (E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide?
The InChIKey is LTKMXFKKHXSKKH-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H20ClNO3S/c1-17-4-2-6-19(14-17)16-27-22-10-8-21(9-11-22)24-28(25,26)13-12-18-5-3-7-20(23)15-18/h2-15,24H,16H2,1H3/b13-12+.
What are the key properties of (E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide?
(E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide has a molecular weight of 413.93 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-chlorophenyl)-N-[4-[(3-methylphenyl)methoxy]phenyl]ethenesulfonamide is sourced from PubChem (CID 90395264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).