1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene

C18H16Cl2O2S — CID 70468430

IUPAC1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene
SMILESO=S(=O)(CC=Cc1ccc(Cl)cc1)CC=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2O2S/c19-17-9-5-15(6-10-17)3-1-13-23(21,22)14-2-4-16-7-11-18(20)12-8-16/h1-12H,13-14H2
InChIKeyHTNGHNWXWIXYEE-UHFFFAOYSA-N
MW367.30 g/mol
LogP5.13
Rot. Bonds6

About 1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene

1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene (PubChem CID 70468430) has the molecular formula C18H16Cl2O2S and a molecular weight of 367.30 g/mol. Its IUPAC name is 1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene
PubChem CID70468430
Molecular FormulaC18H16Cl2O2S
Molecular Weight367.30 g/mol
Exact Mass366.02
IUPAC Name1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene
SMILESO=S(=O)(CC=Cc1ccc(Cl)cc1)CC=Cc1ccc(Cl)cc1
InChIInChI=1S/C18H16Cl2O2S/c19-17-9-5-15(6-10-17)3-1-13-23(21,22)14-2-4-16-7-11-18(20)12-8-16/h1-12H,13-14H2
InChIKeyHTNGHNWXWIXYEE-UHFFFAOYSA-N
XLogP5.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.30
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene?
The IUPAC name of 1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene (CID 70468430) is 1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene.
What is the SMILES notation for 1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene?
The canonical SMILES for 1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene is O=S(=O)(CC=Cc1ccc(Cl)cc1)CC=Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene?
The InChIKey is HTNGHNWXWIXYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2O2S/c19-17-9-5-15(6-10-17)3-1-13-23(21,22)14-2-4-16-7-11-18(20)12-8-16/h1-12H,13-14H2.
What are the key properties of 1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene?
1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene has a molecular weight of 367.30 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[3-[3-(4-chlorophenyl)prop-2-enylsulfonyl]prop-1-enyl]benzene is sourced from PubChem (CID 70468430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).