(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole

C24H33NO2S — CID 27332586

IUPAC(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(C(C)C)c1
InChIInChI=1S/C24H33NO2S/c1-15(2)20-13-21(16(3)4)24(22(14-20)17(5)6)28(26,27)25-18(7)12-19-10-8-9-11-23(19)25/h8-11,13-18H,12H2,1-7H3/t18-/m1/s1
InChIKeyPDUUSNUMPKZDKE-GOSISDBHSA-N
MW399.60 g/mol
LogP6.20
Rot. Bonds5

About (2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole

(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole (PubChem CID 27332586) has the molecular formula C24H33NO2S and a molecular weight of 399.60 g/mol. Its IUPAC name is (2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole
PubChem CID27332586
Molecular FormulaC24H33NO2S
Molecular Weight399.60 g/mol
Exact Mass399.22
IUPAC Name(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole
SMILESCC(C)c1cc(C(C)C)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(C(C)C)c1
InChIInChI=1S/C24H33NO2S/c1-15(2)20-13-21(16(3)4)24(22(14-20)17(5)6)28(26,27)25-18(7)12-19-10-8-9-11-23(19)25/h8-11,13-18H,12H2,1-7H3/t18-/m1/s1
InChIKeyPDUUSNUMPKZDKE-GOSISDBHSA-N
XLogP6.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.60
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4bS,9bS)-5,10-bis[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-4b,9b-dihydroindolo[3,2-b]indole
CID 101448498
1-(2,6-dichlorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 42994759
3,12,21-tris[[2,4,6-tri(propan-2-yl)phenyl]sulfonyl]-3,12,21-triazatetracyclo[21.4.0.05,10.014,19]heptacosa-1(27),5,7,9,14,16,18,23,25-nonaene
CID 11007699
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 5298031
3-methyl-2-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 43452427
6-methyl-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1H-pyrimidine-2,4-dione
CID 6624083
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
2-methyl-1-thiophen-2-ylsulfonyl-2,3-dihydroindole
CID 2943362
2-methyl-1-(1-methylimidazol-4-yl)sulfonyl-2,3-dihydroindole
CID 20958624
6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-3-propan-2-yl-1,3-benzothiazol-2-one
CID 133207560
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole?
The IUPAC name of (2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole (CID 27332586) is (2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole.
What is the SMILES notation for (2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole?
The canonical SMILES for (2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole is CC(C)c1cc(C(C)C)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(C(C)C)c1.
What is the InChIKey of (2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole?
The InChIKey is PDUUSNUMPKZDKE-GOSISDBHSA-N. The full InChI is InChI=1S/C24H33NO2S/c1-15(2)20-13-21(16(3)4)24(22(14-20)17(5)6)28(26,27)25-18(7)12-19-10-8-9-11-23(19)25/h8-11,13-18H,12H2,1-7H3/t18-/m1/s1.
What are the key properties of (2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole?
(2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole has a molecular weight of 399.60 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 27332586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).