N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

C21H26N2O3S — CID 11920578

IUPACN-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1N1CCCC[C@@H]1CO)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c24-15-17-9-6-7-13-23(17)21-19-12-5-4-8-16(19)14-20(21)22-27(25,26)18-10-2-1-3-11-18/h1-5,8,10-12,17,20-22,24H,6-7,9,13-15H2/t17-,20-,21-/m1/s1
InChIKeyRQSBRAOCDOFUKH-DUXKGJEZSA-N
MW386.52 g/mol
LogP2.48
Rot. Bonds5

About N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (PubChem CID 11920578) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
PubChem CID11920578
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC NameN-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESO=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1N1CCCC[C@@H]1CO)c1ccccc1
InChIInChI=1S/C21H26N2O3S/c24-15-17-9-6-7-13-23(17)21-19-12-5-4-8-16(19)14-20(21)22-27(25,26)18-10-2-1-3-11-18/h1-5,8,10-12,17,20-22,24H,6-7,9,13-15H2/t17-,20-,21-/m1/s1
InChIKeyRQSBRAOCDOFUKH-DUXKGJEZSA-N
XLogP2.48
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 8025258
N-[(1S,2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 11920575
N-[(1S,2S)-1-(4-benzoylpiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 32741505
ethyl 4-[(1R,2S)-2-(benzenesulfonamido)-2,3-dihydro-1H-inden-1-yl]piperazine-1-carboxylate
CID 32741528
N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 8008866
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)piperidin-2-yl]methanol
CID 66395265
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 1450762
N-[2-(chloromethyl)cyclohexyl]benzenesulfonamide
CID 114179811
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
N-(2-bromocyclopentyl)benzenesulfonamide
CID 18999501
2,3-dihydro-1H-inden-2-yl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 106893221

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The IUPAC name of N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (CID 11920578) is N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is O=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1N1CCCC[C@@H]1CO)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The InChIKey is RQSBRAOCDOFUKH-DUXKGJEZSA-N. The full InChI is InChI=1S/C21H26N2O3S/c24-15-17-9-6-7-13-23(17)21-19-12-5-4-8-16(19)14-20(21)22-27(25,26)18-10-2-1-3-11-18/h1-5,8,10-12,17,20-22,24H,6-7,9,13-15H2/t17-,20-,21-/m1/s1.
What are the key properties of N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is sourced from PubChem (CID 11920578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).