N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

C21H26N2O2S — CID 8025258

IUPACN-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESCC1CCN([C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2S/c1-16-11-13-23(14-12-16)21-19-10-6-5-7-17(19)15-20(21)22-26(24,25)18-8-3-2-4-9-18/h2-10,16,20-22H,11-15H2,1H3/t20-,21+/m1/s1
InChIKeyVMEUGOBKZJUXNV-RTWAWAEBSA-N
MW370.52 g/mol
LogP3.36
Rot. Bonds4

About N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (PubChem CID 8025258) has the molecular formula C21H26N2O2S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
PubChem CID8025258
Molecular FormulaC21H26N2O2S
Molecular Weight370.52 g/mol
Exact Mass370.17
IUPAC NameN-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESCC1CCN([C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C21H26N2O2S/c1-16-11-13-23(14-12-16)21-19-10-6-5-7-17(19)15-20(21)22-26(24,25)18-8-3-2-4-9-18/h2-10,16,20-22H,11-15H2,1H3/t20-,21+/m1/s1
InChIKeyVMEUGOBKZJUXNV-RTWAWAEBSA-N
XLogP3.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide with MolForge

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Related Compounds

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-[(1R,2R)-1-[(2R)-2-(hydroxymethyl)piperidin-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 11920578
N-(2,3-dimethylcyclopentyl)benzenesulfonamide
CID 64923273
N-[2-(4-methylpiperazin-1-yl)cyclohexyl]benzenesulfonamide
CID 23604938
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
4-(4-methylpiperidin-1-yl)sulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzenesulfonamide
CID 1167006
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
N-[(1S,2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 11920575
N-(5-methyl-2-propan-2-ylcyclohexyl)benzenesulfonamide
CID 42960041
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-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The IUPAC name of N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (CID 8025258) is N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is CC1CCN([C@H]2c3ccccc3C[C@H]2NS(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The InChIKey is VMEUGOBKZJUXNV-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H26N2O2S/c1-16-11-13-23(14-12-16)21-19-10-6-5-7-17(19)15-20(21)22-26(24,25)18-8-3-2-4-9-18/h2-10,16,20-22H,11-15H2,1H3/t20-,21+/m1/s1.
What are the key properties of N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide has a molecular weight of 370.52 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-(4-methylpiperidin-1-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is sourced from PubChem (CID 8025258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).