(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C18H21NO3S — CID 9267432

IUPAC(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCCc1ccc(OC)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1
InChIInChI=1S/C18H21NO3S/c1-4-14-9-10-17(22-3)18(12-14)23(20,21)19-13(2)11-15-7-5-6-8-16(15)19/h5-10,12-13H,4,11H2,1-3H3/t13-/m1/s1
InChIKeyBVTFJLXSTYFNFG-CYBMUJFWSA-N
MW331.44 g/mol
LogP3.40
Rot. Bonds4

About (2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole

(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 9267432) has the molecular formula C18H21NO3S and a molecular weight of 331.44 g/mol. Its IUPAC name is (2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID9267432
Molecular FormulaC18H21NO3S
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCCc1ccc(OC)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1
InChIInChI=1S/C18H21NO3S/c1-4-14-9-10-17(22-3)18(12-14)23(20,21)19-13(2)11-15-7-5-6-8-16(15)19/h5-10,12-13H,4,11H2,1-3H3/t13-/m1/s1
InChIKeyBVTFJLXSTYFNFG-CYBMUJFWSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 45146130
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4914481
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 2978845
(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 1179545
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
1-(4-bromo-2-ethylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4986555
(2R)-1-(5-chloro-2-ethoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7314548
1-(2-ethoxy-4-methyl-5-propan-2-ylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 5298031
N-ethyl-2-methoxy-5-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzamide
CID 132656235
1-(5-ethyl-2-methoxyphenyl)sulfonylpyrrolidine
CID 6457843
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of (2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 9267432) is (2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for (2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for (2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is CCc1ccc(OC)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1.
What is the InChIKey of (2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is BVTFJLXSTYFNFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21NO3S/c1-4-14-9-10-17(22-3)18(12-14)23(20,21)19-13(2)11-15-7-5-6-8-16(15)19/h5-10,12-13H,4,11H2,1-3H3/t13-/m1/s1.
What are the key properties of (2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 331.44 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 9267432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).