2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole

C20H16ClNO2S — CID 134960302

IUPAC2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
SMILESO=S(=O)(c1ccccc1Cl)N1Cc2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C20H16ClNO2S/c21-19-8-4-5-9-20(19)25(23,24)22-13-17-11-10-16(12-18(17)14-22)15-6-2-1-3-7-15/h1-12H,13-14H2
InChIKeyHBOJCZLEGZLOMN-UHFFFAOYSA-N
MW369.87 g/mol
LogP4.71
Rot. Bonds3

About 2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole

2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole (PubChem CID 134960302) has the molecular formula C20H16ClNO2S and a molecular weight of 369.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
PubChem CID134960302
Molecular FormulaC20H16ClNO2S
Molecular Weight369.87 g/mol
Exact Mass369.06
IUPAC Name2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole
SMILESO=S(=O)(c1ccccc1Cl)N1Cc2ccc(-c3ccccc3)cc2C1
InChIInChI=1S/C20H16ClNO2S/c21-19-8-4-5-9-20(19)25(23,24)22-13-17-11-10-16(12-18(17)14-22)15-6-2-1-3-7-15/h1-12H,13-14H2
InChIKeyHBOJCZLEGZLOMN-UHFFFAOYSA-N
XLogP4.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole (CID 134960302) is 2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole is O=S(=O)(c1ccccc1Cl)N1Cc2ccc(-c3ccccc3)cc2C1.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
The InChIKey is HBOJCZLEGZLOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO2S/c21-19-8-4-5-9-20(19)25(23,24)22-13-17-11-10-16(12-18(17)14-22)15-6-2-1-3-7-15/h1-12H,13-14H2.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole?
2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole has a molecular weight of 369.87 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfonyl-5-phenyl-1,3-dihydroisoindole is sourced from PubChem (CID 134960302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).