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

C19H23NO2S — CID 3750552

IUPAC1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO2S/c1-14-13-15-7-5-6-8-18(15)20(14)23(21,22)17-11-9-16(10-12-17)19(2,3)4/h5-12,14H,13H2,1-4H3
InChIKeyKGIMXFFBIGYYLS-UHFFFAOYSA-N
MW329.47 g/mol
LogP4.12
Rot. Bonds2

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

1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 3750552) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID3750552
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C19H23NO2S/c1-14-13-15-7-5-6-8-18(15)20(14)23(21,22)17-11-9-16(10-12-17)19(2,3)4/h5-12,14H,13H2,1-4H3
InChIKeyKGIMXFFBIGYYLS-UHFFFAOYSA-N
XLogP4.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 54.12
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-methyl-2,3-dihydroindole?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 3750552) is 1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is KGIMXFFBIGYYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-14-13-15-7-5-6-8-18(15)20(14)23(21,22)17-11-9-16(10-12-17)19(2,3)4/h5-12,14H,13H2,1-4H3.
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
1-(4-tert-butylphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 329.47 g/mol, XLogP of 4.12, 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-methyl-2,3-dihydroindole is sourced from PubChem (CID 3750552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).