1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene

C30H24Cl2O4S2 — CID 174755685

IUPAC1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene
SMILESC=CC(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(-c2ccccc2)c1S(=O)(=O)C(C=C)c1ccc(Cl)cc1
InChIInChI=1S/C30H24Cl2O4S2/c1-3-27(22-13-17-24(31)18-14-22)37(33,34)29-12-8-11-26(21-9-6-5-7-10-21)30(29)38(35,36)28(4-2)23-15-19-25(32)20-16-23/h3-20,27-28H,1-2H2
InChIKeyMWVVJJXQKGUVJH-UHFFFAOYSA-N
MW583.56 g/mol
LogP8.06
Rot. Bonds9

About 1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene

1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene (PubChem CID 174755685) has the molecular formula C30H24Cl2O4S2 and a molecular weight of 583.56 g/mol. Its IUPAC name is 1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene.

Molecular Properties

Compound Name1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene
PubChem CID174755685
Molecular FormulaC30H24Cl2O4S2
Molecular Weight583.56 g/mol
Exact Mass582.05
IUPAC Name1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene
SMILESC=CC(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(-c2ccccc2)c1S(=O)(=O)C(C=C)c1ccc(Cl)cc1
InChIInChI=1S/C30H24Cl2O4S2/c1-3-27(22-13-17-24(31)18-14-22)37(33,34)29-12-8-11-26(21-9-6-5-7-10-21)30(29)38(35,36)28(4-2)23-15-19-25(32)20-16-23/h3-20,27-28H,1-2H2
InChIKeyMWVVJJXQKGUVJH-UHFFFAOYSA-N
XLogP8.06
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.56
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene?
The IUPAC name of 1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene (CID 174755685) is 1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene.
What is the SMILES notation for 1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene?
The canonical SMILES for 1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene is C=CC(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(-c2ccccc2)c1S(=O)(=O)C(C=C)c1ccc(Cl)cc1.
What is the InChIKey of 1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene?
The InChIKey is MWVVJJXQKGUVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2O4S2/c1-3-27(22-13-17-24(31)18-14-22)37(33,34)29-12-8-11-26(21-9-6-5-7-10-21)30(29)38(35,36)28(4-2)23-15-19-25(32)20-16-23/h3-20,27-28H,1-2H2.
What are the key properties of 1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene?
1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene has a molecular weight of 583.56 g/mol, XLogP of 8.06, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[1-(4-chlorophenyl)prop-2-enylsulfonyl]-3-phenylbenzene is sourced from PubChem (CID 174755685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).