1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole

C22H21NO3S — CID 10054281

IUPAC1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole
SMILESCC1CN(S(=O)(=O)c2ccccc2)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C22H21NO3S/c1-17-15-23(27(24,25)20-10-6-3-7-11-20)22-14-19(12-13-21(17)22)26-16-18-8-4-2-5-9-18/h2-14,17H,15-16H2,1H3
InChIKeyWDJXKCDGFVYBHZ-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.58
Rot. Bonds5

About 1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole

1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole (PubChem CID 10054281) has the molecular formula C22H21NO3S and a molecular weight of 379.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole
PubChem CID10054281
Molecular FormulaC22H21NO3S
Molecular Weight379.48 g/mol
Exact Mass379.12
IUPAC Name1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole
SMILESCC1CN(S(=O)(=O)c2ccccc2)c2cc(OCc3ccccc3)ccc21
InChIInChI=1S/C22H21NO3S/c1-17-15-23(27(24,25)20-10-6-3-7-11-20)22-14-19(12-13-21(17)22)26-16-18-8-4-2-5-9-18/h2-14,17H,15-16H2,1H3
InChIKeyWDJXKCDGFVYBHZ-UHFFFAOYSA-N
XLogP4.58
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenoxy]acetic acid
CID 56797616
(3R)-1-benzyl-3-methyl-5-phenylmethoxy-2,3-dihydroindole
CID 15437709
1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002
6-phenylmethoxy-1-[3-(trifluoromethyl)phenyl]sulfonyl-3,4-dihydro-2H-quinoline
CID 129278646
4-[[(3S)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578840
4-[[(3R)-3-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzoic acid
CID 95578841
3-[1-[3-(2-fluoro-4-phenylmethoxyphenyl)phenyl]sulfonyl-5-methoxy-2,3-dihydroindol-3-yl]propanoic acid
CID 70667721
2-methyl-7-phenylmethoxy-3,4-dihydro-1H-isoquinolin-4-ol
CID 91665585
3-(4-ethoxyphenyl)sulfonyl-2-(3-phenylmethoxyphenyl)-1,3-thiazolidine
CID 3266105
(3S)-1-(4-ethoxyphenyl)sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 95632088
3-methyl-1-[4-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindole
CID 60534914
methyl 4-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 60534669

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole?
The IUPAC name of 1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole (CID 10054281) is 1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole?
The canonical SMILES for 1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole is CC1CN(S(=O)(=O)c2ccccc2)c2cc(OCc3ccccc3)ccc21.
What is the InChIKey of 1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole?
The InChIKey is WDJXKCDGFVYBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3S/c1-17-15-23(27(24,25)20-10-6-3-7-11-20)22-14-19(12-13-21(17)22)26-16-18-8-4-2-5-9-18/h2-14,17H,15-16H2,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole?
1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole has a molecular weight of 379.48 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole is sourced from PubChem (CID 10054281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).