(2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol

C23H23NO5S — CID 10670062

IUPAC(2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol
SMILESCOc1ccc([C@@H]2[C@@H](C)c3cc(O)c(OC)cc3N2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO5S/c1-15-19-13-21(25)22(29-3)14-20(19)24(30(26,27)18-7-5-4-6-8-18)23(15)16-9-11-17(28-2)12-10-16/h4-15,23,25H,1-3H3/t15-,23-/m0/s1
InChIKeySOLUMJNYCDGKQI-WNSKOXEYSA-N
MW425.51 g/mol
LogP4.46
Rot. Bonds5

About (2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol

(2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol (PubChem CID 10670062) has the molecular formula C23H23NO5S and a molecular weight of 425.51 g/mol. Its IUPAC name is (2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol.

Molecular Properties

Compound Name(2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol
PubChem CID10670062
Molecular FormulaC23H23NO5S
Molecular Weight425.51 g/mol
Exact Mass425.13
IUPAC Name(2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol
SMILESCOc1ccc([C@@H]2[C@@H](C)c3cc(O)c(OC)cc3N2S(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C23H23NO5S/c1-15-19-13-21(25)22(29-3)14-20(19)24(30(26,27)18-7-5-4-6-8-18)23(15)16-9-11-17(28-2)12-10-16/h4-15,23,25H,1-3H3/t15-,23-/m0/s1
InChIKeySOLUMJNYCDGKQI-WNSKOXEYSA-N
XLogP4.46
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol with MolForge

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Related Compounds

(2S,3S)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 5314855
(6R)-5-(4-methoxyphenyl)sulfonyl-6-phenyl-6H-phenanthridine
CID 69354601
(2S,3S)-3-ethenyl-6-methoxy-1-(4-methylphenyl)sulfonyl-2-phenyl-2,3-dihydroindole
CID 164667656
1-[(2R,3R)-1-(benzenesulfonyl)-3-(4-methoxyphenyl)aziridin-2-yl]-2,2-dimethylpropan-1-one
CID 134845785
2-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-3-sulfanyl-2,3-dihydroquinolin-4-one
CID 175074316
(3R,4S)-5-(benzenesulfonyl)-7-methoxy-4-(4-methoxyphenyl)-3,10-dimethyl-9-phenyl-5-azatricyclo[6.2.1.02,6]undec-6-en-11-one
CID 5314185
(2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole
CID 102385769
(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
CID 92533105
5-methoxy-2-(4-methylphenyl)sulfonyl-3-phenyl-3H-isoindol-1-one
CID 76517658
1-[(3aS,8bS)-1-(benzenesulfonyl)-7-methoxy-2-phenyl-3a,8b-dihydro-2H-[1,3]oxazolo[5,4-b]indol-4-yl]ethanone
CID 102259833
1-(benzenesulfonyl)-7-methoxy-3-methyl-3,4-dihydro-2H-quinoline
CID 110663002
3-hydroxy-2-(4-methoxyphenyl)-2H-1,3-benzothiazole 1-oxide
CID 175093437

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol?
The IUPAC name of (2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol (CID 10670062) is (2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol.
What is the SMILES notation for (2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol?
The canonical SMILES for (2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol is COc1ccc([C@@H]2[C@@H](C)c3cc(O)c(OC)cc3N2S(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of (2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol?
The InChIKey is SOLUMJNYCDGKQI-WNSKOXEYSA-N. The full InChI is InChI=1S/C23H23NO5S/c1-15-19-13-21(25)22(29-3)14-20(19)24(30(26,27)18-7-5-4-6-8-18)23(15)16-9-11-17(28-2)12-10-16/h4-15,23,25H,1-3H3/t15-,23-/m0/s1.
What are the key properties of (2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol?
(2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol has a molecular weight of 425.51 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-1-(benzenesulfonyl)-6-methoxy-2-(4-methoxyphenyl)-3-methyl-2,3-dihydroindol-5-ol is sourced from PubChem (CID 10670062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).