(1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene

C15H12Cl2O2S — CID 822361

IUPAC(1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene
SMILESO=S(=O)(c1ccc(Cl)cc1)[C@H]1Cc2ccccc2[C@H]1Cl
InChIInChI=1S/C15H12Cl2O2S/c16-11-5-7-12(8-6-11)20(18,19)14-9-10-3-1-2-4-13(10)15(14)17/h1-8,14-15H,9H2/t14-,15+/m0/s1
InChIKeyYCZNBDLLYANJHE-LSDHHAIUSA-N
MW327.23 g/mol
LogP4.02
Rot. Bonds2

About (1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene

(1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene (PubChem CID 822361) has the molecular formula C15H12Cl2O2S and a molecular weight of 327.23 g/mol. Its IUPAC name is (1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene
PubChem CID822361
Molecular FormulaC15H12Cl2O2S
Molecular Weight327.23 g/mol
Exact Mass325.99
IUPAC Name(1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene
SMILESO=S(=O)(c1ccc(Cl)cc1)[C@H]1Cc2ccccc2[C@H]1Cl
InChIInChI=1S/C15H12Cl2O2S/c16-11-5-7-12(8-6-11)20(18,19)14-9-10-3-1-2-4-13(10)15(14)17/h1-8,14-15H,9H2/t14-,15+/m0/s1
InChIKeyYCZNBDLLYANJHE-LSDHHAIUSA-N
XLogP4.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine
CID 64675129
N-(2-bromo-2,3-dihydro-1H-inden-1-yl)-4-chlorobenzenesulfonamide
CID 114297807
2-(4-bromophenyl)sulfonyl-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 64647447
2-(4-chlorophenyl)sulfonyloxirane
CID 73347392
2-(benzenesulfonyl)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 62917722
N-[(1S,2S)-1-azido-2,3-dihydro-1H-inden-2-yl]-4-chlorobenzenesulfonamide
CID 134984055
N-[(1R,2R)-1-chloro-2,3-dihydro-1H-inden-2-yl]-4-methylbenzenesulfonamide
CID 11558812
1-methyl-2,3-dihydro-1H-indene-2-sulfonyl chloride
CID 164654698
4-(4-chlorophenyl)sulfonyl-5-(2-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 19700401
2-(2-fluorophenyl)sulfonyl-2,3-dihydro-1H-inden-1-ol
CID 106585214
(3R)-2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 2356856
1-chloro-2-[(5-chloro-2-nitrophenyl)methyl]-2,3-dihydro-1H-indene
CID 79555363

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene?
The IUPAC name of (1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene (CID 822361) is (1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene is O=S(=O)(c1ccc(Cl)cc1)[C@H]1Cc2ccccc2[C@H]1Cl.
What is the InChIKey of (1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene?
The InChIKey is YCZNBDLLYANJHE-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H12Cl2O2S/c16-11-5-7-12(8-6-11)20(18,19)14-9-10-3-1-2-4-13(10)15(14)17/h1-8,14-15H,9H2/t14-,15+/m0/s1.
What are the key properties of (1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene?
(1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene has a molecular weight of 327.23 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-chloro-2-(4-chlorophenyl)sulfonyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 822361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).