(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

C17H19NO3S — CID 7456409

IUPAC(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)c1
InChIInChI=1S/C17H19NO3S/c1-12-10-15(21-3)8-9-17(12)22(19,20)18-13(2)11-14-6-4-5-7-16(14)18/h4-10,13H,11H2,1-3H3/t13-/m0/s1
InChIKeyXUXBSMIDIRIEOL-ZDUSSCGKSA-N
MW317.41 g/mol
LogP3.14
Rot. Bonds3

About (2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole

(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (PubChem CID 7456409) has the molecular formula C17H19NO3S and a molecular weight of 317.41 g/mol. Its IUPAC name is (2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
PubChem CID7456409
Molecular FormulaC17H19NO3S
Molecular Weight317.41 g/mol
Exact Mass317.11
IUPAC Name(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
SMILESCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)c1
InChIInChI=1S/C17H19NO3S/c1-12-10-15(21-3)8-9-17(12)22(19,20)18-13(2)11-14-6-4-5-7-16(14)18/h4-10,13H,11H2,1-3H3/t13-/m0/s1
InChIKeyXUXBSMIDIRIEOL-ZDUSSCGKSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
1-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 2978845
1-(4-chloro-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 4914481
(2R)-1-(5-bromo-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 8511937
(2S)-1-(2,5-dichloro-4-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 1179545
1-(4-bromo-2,5-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 45146130
(2R)-1-(5-ethyl-2-methoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 9267432
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
1-(2,4-difluorophenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 3750553
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 113077346

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The IUPAC name of (2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole (CID 7456409) is (2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole.
What is the SMILES notation for (2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The canonical SMILES for (2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)c1.
What is the InChIKey of (2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
The InChIKey is XUXBSMIDIRIEOL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19NO3S/c1-12-10-15(21-3)8-9-17(12)22(19,20)18-13(2)11-14-6-4-5-7-16(14)18/h4-10,13H,11H2,1-3H3/t13-/m0/s1.
What are the key properties of (2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole?
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole has a molecular weight of 317.41 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 7456409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).