2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene

C19H25NO7S3 — CID 131863320

IUPAC2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene
SMILESCCS(=O)(=O)C(S(C)(=O)=O)S(=O)(=O)c1ccccc1.NC1Cc2ccccc2C1O
InChIInChI=1S/C10H14O6S3.C9H11NO/c1-3-18(13,14)10(17(2,11)12)19(15,16)9-7-5-4-6-8-9;10-8-5-6-3-1-2-4-7(6)9(8)11/h4-8,10H,3H2,1-2H3;1-4,8-9,11H,5,10H2
InChIKeyKRBXUYXVLYXCNV-UHFFFAOYSA-N
MW475.61 g/mol
LogP0.83
Rot. Bonds5

About 2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene

2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene (PubChem CID 131863320) has the molecular formula C19H25NO7S3 and a molecular weight of 475.61 g/mol. Its IUPAC name is 2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene.

Molecular Properties

Compound Name2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene
PubChem CID131863320
Molecular FormulaC19H25NO7S3
Molecular Weight475.61 g/mol
Exact Mass475.08
IUPAC Name2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene
SMILESCCS(=O)(=O)C(S(C)(=O)=O)S(=O)(=O)c1ccccc1.NC1Cc2ccccc2C1O
InChIInChI=1S/C10H14O6S3.C9H11NO/c1-3-18(13,14)10(17(2,11)12)19(15,16)9-7-5-4-6-8-9;10-8-5-6-3-1-2-4-7(6)9(8)11/h4-8,10H,3H2,1-2H3;1-4,8-9,11H,5,10H2
InChIKeyKRBXUYXVLYXCNV-UHFFFAOYSA-N
XLogP0.83
TPSA148.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.61
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(1S,2S)-2-amino-2,3-dihydro-1H-inden-1-ol;hydrochloride
CID 71776086
N-(2-amino-2,3-dihydro-1H-inden-1-yl)propane-2-sulfonamide
CID 63767365
2-(2-ethylbutyl)-2,3-dihydro-1H-inden-1-ol
CID 82930706
2-amino-1-(diethylsulfamoylamino)-2,3-dihydro-1H-indene
CID 63765446
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684490
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]methanesulfonamide
CID 103684497
N-[2-[[(1S,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-methylamino]ethyl]methanesulfonamide
CID 97335641
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-2-methylsulfonylpropanamide
CID 114983105
2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62917722
ethyl (1R,2R)-1-hydroxy-2,3-dihydro-1H-indene-2-carboxylate
CID 102322788
1-N-(methylsulfamoyl)-2,3-dihydro-1H-indene-1,2-diamine
CID 114812781
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]propane-1-sulfonamide
CID 113240016

Frequently Asked Questions

What is the IUPAC name of 2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene?
The IUPAC name of 2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene (CID 131863320) is 2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene.
What is the SMILES notation for 2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene?
The canonical SMILES for 2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene is CCS(=O)(=O)C(S(C)(=O)=O)S(=O)(=O)c1ccccc1.NC1Cc2ccccc2C1O.
What is the InChIKey of 2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene?
The InChIKey is KRBXUYXVLYXCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6S3.C9H11NO/c1-3-18(13,14)10(17(2,11)12)19(15,16)9-7-5-4-6-8-9;10-8-5-6-3-1-2-4-7(6)9(8)11/h4-8,10H,3H2,1-2H3;1-4,8-9,11H,5,10H2.
What are the key properties of 2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene?
2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene has a molecular weight of 475.61 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,3-dihydro-1H-inden-1-ol;[ethylsulfonyl(methylsulfonyl)methyl]sulfonylbenzene is sourced from PubChem (CID 131863320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).