7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene

C15H14O3S — CID 102056354

IUPAC7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCOc1cccc2c1CC2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-18-14-9-5-8-12-13(14)10-15(12)19(16,17)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3
InChIKeyOODNIBJVQDTISG-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.77
Rot. Bonds3

About 7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene

7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 102056354) has the molecular formula C15H14O3S and a molecular weight of 274.34 g/mol. Its IUPAC name is 7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Name7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID102056354
Molecular FormulaC15H14O3S
Molecular Weight274.34 g/mol
Exact Mass274.07
IUPAC Name7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCOc1cccc2c1CC2S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H14O3S/c1-18-14-9-5-8-12-13(14)10-15(12)19(16,17)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3
InChIKeyOODNIBJVQDTISG-UHFFFAOYSA-N
XLogP2.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene with MolForge

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Related Compounds

1-(benzenesulfonyl)-5,6-dimethoxy-4-phenylsulfanyl-1,2,3,4-tetrahydronaphthalene
CID 10993893
3-(benzenesulfonyl)-4,7-dimethoxy-2,3-dihydro-1-benzothiophene 1,1-dioxide
CID 22092110
8-methoxy-4-phenyl-3,4-dihydro-1H-naphthalen-2-one
CID 56926900
6-methoxy-2,2a,7,7a-tetrahydro-1H-cyclobuta[a]indene
CID 90201598
4-methoxy-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726670
3-[(2-amino-4-methoxy-2,3-dihydro-1H-inden-1-yl)oxy]propanoic acid
CID 166125462
(2R,3S,5S)-3-(benzenesulfonyl)-2-(2,4-dimethoxyphenyl)-5-phenyloxolane
CID 100944584
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63822286
5-methoxy-3-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63820817
3-(benzenesulfonyl)-1,1-dihydroxy-5-methoxy-2,3-dihydro-1-benzothiophene
CID 70000074
2-(2-methoxyphenyl)sulfonyl-2,3-dihydro-1H-inden-1-amine
CID 64676069
(3R)-2-(benzenesulfonyl)-3-(2-methoxyphenyl)-5-phenyl-3,4-dihydropyrazole
CID 7120948

Frequently Asked Questions

What is the IUPAC name of 7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of 7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene (CID 102056354) is 7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for 7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for 7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene is COc1cccc2c1CC2S(=O)(=O)c1ccccc1.
What is the InChIKey of 7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is OODNIBJVQDTISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3S/c1-18-14-9-5-8-12-13(14)10-15(12)19(16,17)11-6-3-2-4-7-11/h2-9,15H,10H2,1H3.
What are the key properties of 7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene?
7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 274.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzenesulfonyl)-2-methoxybicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 102056354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).