5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

C17H16ClNO2S — CID 11652887

IUPAC5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESC=CC1Cc2cc(Cl)ccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H16ClNO2S/c1-3-15-11-13-10-14(18)6-9-17(13)19(15)22(20,21)16-7-4-12(2)5-8-16/h3-10,15H,1,11H2,2H3
InChIKeySXTDRYCZCGGVQV-UHFFFAOYSA-N
MW333.84 g/mol
LogP3.95
Rot. Bonds3

About 5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole

5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 11652887) has the molecular formula C17H16ClNO2S and a molecular weight of 333.84 g/mol. Its IUPAC name is 5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID11652887
Molecular FormulaC17H16ClNO2S
Molecular Weight333.84 g/mol
Exact Mass333.06
IUPAC Name5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole
SMILESC=CC1Cc2cc(Cl)ccc2N1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C17H16ClNO2S/c1-3-15-11-13-10-14(18)6-9-17(13)19(15)22(20,21)16-7-4-12(2)5-8-16/h3-10,15H,1,11H2,2H3
InChIKeySXTDRYCZCGGVQV-UHFFFAOYSA-N
XLogP3.95
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole (CID 11652887) is 5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is C=CC1Cc2cc(Cl)ccc2N1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is SXTDRYCZCGGVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2S/c1-3-15-11-13-10-14(18)6-9-17(13)19(15)22(20,21)16-7-4-12(2)5-8-16/h3-10,15H,1,11H2,2H3.
What are the key properties of 5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole?
5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 333.84 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethenyl-1-(4-methylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 11652887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).