[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene

C17H18O4S2 — CID 102329624

IUPAC[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene
SMILESC[C@@]1(S(=O)(=O)c2ccccc2)C[C@@]1(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18O4S2/c1-16(22(18,19)14-9-5-3-6-10-14)13-17(16,2)23(20,21)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3/t16-,17-/m1/s1
InChIKeyHLPJEVMHDSEADL-IAGOWNOFSA-N
MW350.46 g/mol
LogP2.86
Rot. Bonds4

About [(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene

[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene (PubChem CID 102329624) has the molecular formula C17H18O4S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene.

Molecular Properties

Compound Name[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene
PubChem CID102329624
Molecular FormulaC17H18O4S2
Molecular Weight350.46 g/mol
Exact Mass350.06
IUPAC Name[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene
SMILESC[C@@]1(S(=O)(=O)c2ccccc2)C[C@@]1(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18O4S2/c1-16(22(18,19)14-9-5-3-6-10-14)13-17(16,2)23(20,21)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3/t16-,17-/m1/s1
InChIKeyHLPJEVMHDSEADL-IAGOWNOFSA-N
XLogP2.86
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(benzenesulfonyl)-3-methylbicyclo[1.1.1]pentane
CID 45097762
cis-(1R,2S)-2-(benzenesulfonyl)-1,2-dimethylcyclohexan-1-ol
CID 899860
1-[1-(benzenesulfonyl)cyclobutyl]ethanone
CID 115042670
(1-ethylcyclopropyl)sulfonylbenzene
CID 70894852
1-(benzenesulfonyl)cyclopropan-1-ol
CID 24799052
[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene
CID 1380165
3-(benzenesulfonyl)bicyclo[1.1.0]butane-1-carboxylic acid
CID 14320196
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
(1R,2R,3R)-3-(benzenesulfonyl)-2-methylbicyclo[1.1.0]butane-1-carboxylic acid
CID 14320205
[(1S,2S)-2-(benzenesulfonyl)-2-methylcyclopropyl]-triphenylsilane
CID 11004939
(1S,5R)-1-(benzenesulfonyl)-2,5-dimethylbicyclo[3.2.0]hept-2-ene
CID 10956368
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene?
The IUPAC name of [(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene (CID 102329624) is [(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene.
What is the SMILES notation for [(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene?
The canonical SMILES for [(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene is C[C@@]1(S(=O)(=O)c2ccccc2)C[C@@]1(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene?
The InChIKey is HLPJEVMHDSEADL-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H18O4S2/c1-16(22(18,19)14-9-5-3-6-10-14)13-17(16,2)23(20,21)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3/t16-,17-/m1/s1.
What are the key properties of [(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene?
[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene has a molecular weight of 350.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene is sourced from PubChem (CID 102329624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).