4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole

C15H14ClNO2S — CID 15167894

IUPAC4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3cccc(Cl)c3C2)cc1
InChIInChI=1S/C15H14ClNO2S/c1-11-5-7-13(8-6-11)20(18,19)17-9-12-3-2-4-15(16)14(12)10-17/h2-8H,9-10H2,1H3
InChIKeyBVTRANFQZZDMHG-UHFFFAOYSA-N
MW307.80 g/mol
LogP3.35
Rot. Bonds2

About 4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole

4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole (PubChem CID 15167894) has the molecular formula C15H14ClNO2S and a molecular weight of 307.80 g/mol. Its IUPAC name is 4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
PubChem CID15167894
Molecular FormulaC15H14ClNO2S
Molecular Weight307.80 g/mol
Exact Mass307.04
IUPAC Name4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole
SMILESCc1ccc(S(=O)(=O)N2Cc3cccc(Cl)c3C2)cc1
InChIInChI=1S/C15H14ClNO2S/c1-11-5-7-13(8-6-11)20(18,19)17-9-12-3-2-4-15(16)14(12)10-17/h2-8H,9-10H2,1H3
InChIKeyBVTRANFQZZDMHG-UHFFFAOYSA-N
XLogP3.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The IUPAC name of 4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole (CID 15167894) is 4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole.
What is the SMILES notation for 4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The canonical SMILES for 4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole is Cc1ccc(S(=O)(=O)N2Cc3cccc(Cl)c3C2)cc1.
What is the InChIKey of 4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
The InChIKey is BVTRANFQZZDMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2S/c1-11-5-7-13(8-6-11)20(18,19)17-9-12-3-2-4-15(16)14(12)10-17/h2-8H,9-10H2,1H3.
What are the key properties of 4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole?
4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole has a molecular weight of 307.80 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methylphenyl)sulfonyl-1,3-dihydroisoindole is sourced from PubChem (CID 15167894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).