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

C19H21N3O3S — CID 8008866

IUPACN-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESO=C1CN([C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)CCN1
InChIInChI=1S/C19H21N3O3S/c23-18-13-22(11-10-20-18)19-16-9-5-4-6-14(16)12-17(19)21-26(24,25)15-7-2-1-3-8-15/h1-9,17,19,21H,10-13H2,(H,20,23)/t17-,19+/m1/s1
InChIKeyQCMODFPKVSPUTN-MJGOQNOKSA-N
MW371.46 g/mol
LogP1.06
Rot. Bonds4

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

N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (PubChem CID 8008866) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
PubChem CID8008866
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC NameN-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESO=C1CN([C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)CCN1
InChIInChI=1S/C19H21N3O3S/c23-18-13-22(11-10-20-18)19-16-9-5-4-6-14(16)12-17(19)21-26(24,25)15-7-2-1-3-8-15/h1-9,17,19,21H,10-13H2,(H,20,23)/t17-,19+/m1/s1
InChIKeyQCMODFPKVSPUTN-MJGOQNOKSA-N
XLogP1.06
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide with MolForge

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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-(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-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 11920578
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-2-one
CID 50851956
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
N-(1,2,3,4-tetrahydroquinolin-3-yl)benzenesulfonamide
CID 18177121
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]benzenesulfonamide
CID 55664182
N-[(1S,2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 11920575
N-[(1R,2S)-2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 94784704
N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 98940798

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The IUPAC name of N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (CID 8008866) is N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is O=C1CN([C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)CCN1.
What is the InChIKey of N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The InChIKey is QCMODFPKVSPUTN-MJGOQNOKSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-18-13-22(11-10-20-18)19-16-9-5-4-6-14(16)12-17(19)21-26(24,25)15-7-2-1-3-8-15/h1-9,17,19,21H,10-13H2,(H,20,23)/t17-,19+/m1/s1.
What are the key properties of N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide has a molecular weight of 371.46 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-(3-oxopiperazin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is sourced from PubChem (CID 8008866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).