2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole

C21H19NO3S — CID 43915536

IUPAC2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c1-16-15-17-7-5-6-10-21(17)22(16)26(23,24)20-13-11-19(12-14-20)25-18-8-3-2-4-9-18/h2-14,16H,15H2,1H3
InChIKeyWXZLXZRHVHQEBQ-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.62
Rot. Bonds4

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

2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 43915536) has the molecular formula C21H19NO3S and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
PubChem CID43915536
Molecular FormulaC21H19NO3S
Molecular Weight365.45 g/mol
Exact Mass365.11
IUPAC Name2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H19NO3S/c1-16-15-17-7-5-6-10-21(17)22(16)26(23,24)20-13-11-19(12-14-20)25-18-8-3-2-4-9-18/h2-14,16H,15H2,1H3
InChIKeyWXZLXZRHVHQEBQ-UHFFFAOYSA-N
XLogP4.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 42958546
1-(6-methoxynaphthalen-2-yl)sulfonyl-2-methyl-2,3-dihydroindole
CID 56727561
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzonitrile
CID 24694007
3-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]propanoic acid
CID 7516346
ethyl 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 42992372
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
CID 2552012
ethyl N-[4-[[(2R)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962185
ethyl N-[4-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]phenyl]carbamate
CID 28962182
N-cyclohexyl-2-[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]propanamide
CID 132672583
(2S)-1-(4-methoxy-2-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7456409
1-(2,4-dimethoxyphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 19683272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole (CID 43915536) is 2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole is CC1Cc2ccccc2N1S(=O)(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is WXZLXZRHVHQEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3S/c1-16-15-17-7-5-6-10-21(17)22(16)26(23,24)20-13-11-19(12-14-20)25-18-8-3-2-4-9-18/h2-14,16H,15H2,1H3.
What are the key properties of 2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole?
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 365.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 43915536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).