6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride

C12H15ClO2S — CID 84709599

IUPAC6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc2c(c1)CCCCC2
InChIInChI=1S/C12H15ClO2S/c13-16(14,15)9-10-6-7-11-4-2-1-3-5-12(11)8-10/h6-8H,1-5,9H2
InChIKeyIRQZAWWLOHEQPI-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.02
Rot. Bonds2

About 6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride

6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride (PubChem CID 84709599) has the molecular formula C12H15ClO2S and a molecular weight of 258.77 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride
PubChem CID84709599
Molecular FormulaC12H15ClO2S
Molecular Weight258.77 g/mol
Exact Mass258.05
IUPAC Name6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1ccc2c(c1)CCCCC2
InChIInChI=1S/C12H15ClO2S/c13-16(14,15)9-10-6-7-11-4-2-1-3-5-12(11)8-10/h6-8H,1-5,9H2
InChIKeyIRQZAWWLOHEQPI-UHFFFAOYSA-N
XLogP3.02
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(chloromethyl)-5,6,7,8,9,10-hexahydrobenzo[8]annulene
CID 121258439
(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl)methanesulfonyl chloride
CID 117466523
(2,2-dimethyl-3,4-dihydrochromen-6-yl)methanesulfonyl chloride
CID 84713972
5-[(4-bromophenyl)sulfonylmethyl]-2,3-dihydro-1H-indene
CID 70208606
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 19914431
3-chloro-4-(2,3-dihydro-1H-inden-5-ylmethylsulfonyl)aniline
CID 81184275
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl)acetonitrile
CID 12562356
(3,4-diethylphenyl)methanesulfonyl chloride
CID 117369333
3-chloro-2-(2,3-dihydro-1H-inden-5-ylmethylsulfonyl)aniline
CID 81185321
3-(chloromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 11804968
6-(nitrosomethyl)-1,2,3,4-tetrahydronaphthalene
CID 90921916
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-phenylmethanesulfonamide
CID 110780394

Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride?
The IUPAC name of 6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride (CID 84709599) is 6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1ccc2c(c1)CCCCC2.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride?
The InChIKey is IRQZAWWLOHEQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO2S/c13-16(14,15)9-10-6-7-11-4-2-1-3-5-12(11)8-10/h6-8H,1-5,9H2.
What are the key properties of 6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride?
6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ylmethanesulfonyl chloride has a molecular weight of 258.77 g/mol, XLogP of 3.02, 2 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]annulen-3-ylmethanesulfonyl chloride is sourced from PubChem (CID 84709599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).