5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene

C15H21ClO2S — CID 62229484

IUPAC5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene
SMILESO=S(=O)(CCCCCCCl)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21ClO2S/c16-10-3-1-2-4-11-19(17,18)15-9-8-13-6-5-7-14(13)12-15/h8-9,12H,1-7,10-11H2
InChIKeyBQZGIQXWTQECAT-UHFFFAOYSA-N
MW300.85 g/mol
LogP3.75
Rot. Bonds7

About 5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene

5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene (PubChem CID 62229484) has the molecular formula C15H21ClO2S and a molecular weight of 300.85 g/mol. Its IUPAC name is 5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene
PubChem CID62229484
Molecular FormulaC15H21ClO2S
Molecular Weight300.85 g/mol
Exact Mass300.10
IUPAC Name5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene
SMILESO=S(=O)(CCCCCCCl)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H21ClO2S/c16-10-3-1-2-4-11-19(17,18)15-9-8-13-6-5-7-14(13)12-15/h8-9,12H,1-7,10-11H2
InChIKeyBQZGIQXWTQECAT-UHFFFAOYSA-N
XLogP3.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.85
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(2,3-dihydro-1H-inden-5-ylsulfonyl)hexan-2-one
CID 64641999
6-butylsulfonyl-1,2,3,4-tetrahydronaphthalene
CID 158665045
5-(2,3-dihydro-1H-inden-5-ylsulfonyl)pentan-2-one
CID 64642185
5-(3-azidopropylsulfonyl)-2,3-dihydro-1H-indene
CID 61397011
6-(2,3-dihydro-1H-inden-5-ylsulfonyl)-N-methylhexan-2-amine
CID 64647032
5-(4-chlorobutyl)-2,3-dihydro-1H-indene
CID 64514679
5-(6-chlorohexoxy)-2,3-dihydro-1H-indene
CID 63499663
5-(3-chloropropylsulfonyl)-2,3-dihydro-1H-indole
CID 68564334
methyl 3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanoate
CID 43330679
3-chloro-N-(2,3-dihydro-1H-inden-5-yl)propane-1-sulfonamide
CID 43654045
N-(3-aminopropyl)-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propanamide
CID 119406690
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-3-(2,3-dihydro-1H-inden-5-ylsulfonyl)propan-1-one
CID 112836004

Frequently Asked Questions

What is the IUPAC name of 5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene?
The IUPAC name of 5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene (CID 62229484) is 5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene is O=S(=O)(CCCCCCCl)c1ccc2c(c1)CCC2.
What is the InChIKey of 5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene?
The InChIKey is BQZGIQXWTQECAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClO2S/c16-10-3-1-2-4-11-19(17,18)15-9-8-13-6-5-7-14(13)12-15/h8-9,12H,1-7,10-11H2.
What are the key properties of 5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene?
5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene has a molecular weight of 300.85 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chlorohexylsulfonyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 62229484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).