(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole

C17H17NO4S — CID 2552012

IUPAC(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
SMILESC[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO4S/c1-12-10-13-4-2-3-5-15(13)18(12)23(19,20)14-6-7-16-17(11-14)22-9-8-21-16/h2-7,11-12H,8-10H2,1H3/t12-/m1/s1
InChIKeySIUSGZIWJYJFJF-GFCCVEGCSA-N
MW331.39 g/mol
LogP2.60
Rot. Bonds2

About (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole

(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole (PubChem CID 2552012) has the molecular formula C17H17NO4S and a molecular weight of 331.39 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
PubChem CID2552012
Molecular FormulaC17H17NO4S
Molecular Weight331.39 g/mol
Exact Mass331.09
IUPAC Name(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole
SMILESC[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C17H17NO4S/c1-12-10-13-4-2-3-5-15(13)18(12)23(19,20)14-6-7-16-17(11-14)22-9-8-21-16/h2-7,11-12H,8-10H2,1H3/t12-/m1/s1
InChIKeySIUSGZIWJYJFJF-GFCCVEGCSA-N
XLogP2.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[3-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]benzoyl]-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 55455151
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-methyl-3,4-dihydro-2H-quinoline
CID 110602519
8-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-4H-chromeno[3,4-d][1,2]oxazole
CID 46394778
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-N-ethyl-2,3-dihydroindole-2-carboxamide
CID 41429174
6-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-1,3-benzoxazole
CID 110759759
(2R)-1-(4-bromo-3-methylphenyl)sulfonyl-2-methyl-2,3-dihydroindole
CID 7510411
2-fluoro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]aniline
CID 82845026
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
2-methyl-1-(4-phenoxyphenyl)sulfonyl-2,3-dihydroindole
CID 43915536
N-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]benzamide
CID 2334440
N-[2-chloro-4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]acetamide
CID 23853086

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole?
The IUPAC name of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole (CID 2552012) is (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole.
What is the SMILES notation for (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole?
The canonical SMILES for (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole is C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole?
The InChIKey is SIUSGZIWJYJFJF-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17NO4S/c1-12-10-13-4-2-3-5-15(13)18(12)23(19,20)14-6-7-16-17(11-14)22-9-8-21-16/h2-7,11-12H,8-10H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole?
(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole has a molecular weight of 331.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-2-methyl-2,3-dihydroindole is sourced from PubChem (CID 2552012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).