6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride

C11H13ClO2S — CID 62084728

IUPAC6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCCCc2ccccc21
InChIInChI=1S/C11H13ClO2S/c12-15(13,14)11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2
InChIKeyKPLQLPFKBXYHMK-UHFFFAOYSA-N
MW244.74 g/mol
LogP3.02
Rot. Bonds1

About 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride

6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride (PubChem CID 62084728) has the molecular formula C11H13ClO2S and a molecular weight of 244.74 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride
PubChem CID62084728
Molecular FormulaC11H13ClO2S
Molecular Weight244.74 g/mol
Exact Mass244.03
IUPAC Name6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCCCc2ccccc21
InChIInChI=1S/C11H13ClO2S/c12-15(13,14)11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2
InChIKeyKPLQLPFKBXYHMK-UHFFFAOYSA-N
XLogP3.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.74
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,4-tetrahydronaphthalene-1-sulfonyl bromide
CID 102537231
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methanesulfonamide
CID 71934404
(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 40572494
5,6,7,8,9,10-hexahydrobenzo[8]annulene-5,6-diol
CID 121014206
(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
CID 130614926
ethane;5-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 91190032
methyl-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]azanide
CID 140609234
N-(1,2,3,4-tetrahydronaphthalen-1-yl)methanesulfonamide
CID 4650012
1-(sulfamoylamino)-1,2,3,4-tetrahydronaphthalene
CID 45117542
N-cyclopentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43095434
N-methyl-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-amine
CID 123748338
N-(2-methyl-2-methylsulfonylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79552399

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride?
The IUPAC name of 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride (CID 62084728) is 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride is O=S(=O)(Cl)C1CCCCc2ccccc21.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride?
The InChIKey is KPLQLPFKBXYHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO2S/c12-15(13,14)11-8-4-2-6-9-5-1-3-7-10(9)11/h1,3,5,7,11H,2,4,6,8H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride?
6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride has a molecular weight of 244.74 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-benzo[7]annulene-5-sulfonyl chloride is sourced from PubChem (CID 62084728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).