N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

C23H23ClN2O2S — CID 98940798

IUPACN-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESCN(Cc1cccc(Cl)c1)[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23ClN2O2S/c1-26(16-17-8-7-10-19(24)14-17)23-21-13-6-5-9-18(21)15-22(23)25-29(27,28)20-11-3-2-4-12-20/h2-14,22-23,25H,15-16H2,1H3/t22-,23-/m1/s1
InChIKeyZLAZUWXJRJVJDH-DHIUTWEWSA-N
MW426.97 g/mol
LogP4.42
Rot. Bonds6

About N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (PubChem CID 98940798) has the molecular formula C23H23ClN2O2S and a molecular weight of 426.97 g/mol. Its IUPAC name is N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
PubChem CID98940798
Molecular FormulaC23H23ClN2O2S
Molecular Weight426.97 g/mol
Exact Mass426.12
IUPAC NameN-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESCN(Cc1cccc(Cl)c1)[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C23H23ClN2O2S/c1-26(16-17-8-7-10-19(24)14-17)23-21-13-6-5-9-18(21)15-22(23)25-29(27,28)20-11-3-2-4-12-20/h2-14,22-23,25H,15-16H2,1H3/t22-,23-/m1/s1
InChIKeyZLAZUWXJRJVJDH-DHIUTWEWSA-N
XLogP4.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.97
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-(2,3-dihydro-1H-inden-2-yl)benzenesulfonamide
CID 2823472
N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide
CID 134984055
3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 24660209
N-[(3-chlorophenyl)methyl]-N-methylcyclopropanamine
CID 130877387
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(3-chlorophenyl)-N-methylethanamine
CID 64984199
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 114297807
2-[(3-chlorophenyl)methyl-methylamino]cyclobutane-1-carboxylic acid
CID 80996487
N-[(3-chlorophenyl)methyl]-1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylmethanamine
CID 79319960
2-[(3-chlorophenyl)methyl-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9251398
N-[(1S,2S)-1-[(2R)-2-(hydroxymethyl)piperidin-1-ium-1-yl]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 11920575
3-chloro-N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]benzenesulfonamide
CID 135106288
N-[(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexyl]benzenesulfonamide
CID 94784679

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The IUPAC name of N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (CID 98940798) is N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The canonical SMILES for N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is CN(Cc1cccc(Cl)c1)[C@@H]1c2ccccc2C[C@H]1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The InChIKey is ZLAZUWXJRJVJDH-DHIUTWEWSA-N. The full InChI is InChI=1S/C23H23ClN2O2S/c1-26(16-17-8-7-10-19(24)14-17)23-21-13-6-5-9-18(21)15-22(23)25-29(27,28)20-11-3-2-4-12-20/h2-14,22-23,25H,15-16H2,1H3/t22-,23-/m1/s1.
What are the key properties of N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide has a molecular weight of 426.97 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-1-[(3-chlorophenyl)methyl-methylamino]-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is sourced from PubChem (CID 98940798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).