1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole

C18H21NO2S — CID 2163081

IUPAC1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H21NO2S/c1-18(2,3)15-8-10-16(11-9-15)22(20,21)19-13-12-14-6-4-5-7-17(14)19/h4-11H,12-13H2,1-3H3
InChIKeyZEPAQPVAZCXRCD-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.74
Rot. Bonds2

About 1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole

1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 2163081) has the molecular formula C18H21NO2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID2163081
Molecular FormulaC18H21NO2S
Molecular Weight315.44 g/mol
Exact Mass315.13
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H21NO2S/c1-18(2,3)15-8-10-16(11-9-15)22(20,21)19-13-12-14-6-4-5-7-17(14)19/h4-11H,12-13H2,1-3H3
InChIKeyZEPAQPVAZCXRCD-UHFFFAOYSA-N
XLogP3.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole (CID 2163081) is 1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole is CC(C)(C)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is ZEPAQPVAZCXRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2S/c1-18(2,3)15-8-10-16(11-9-15)22(20,21)19-13-12-14-6-4-5-7-17(14)19/h4-11H,12-13H2,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole?
1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 315.44 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 2163081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).