[1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene

C16H14F2O4S2 — CID 122208595

IUPAC[1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CC1C(F)F
InChIInChI=1S/C16H14F2O4S2/c17-15(18)14-11-16(14,23(19,20)12-7-3-1-4-8-12)24(21,22)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyHNSAUKKLJXESCV-UHFFFAOYSA-N
MW372.41 g/mol
LogP2.92
Rot. Bonds5

About [1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene

[1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene (PubChem CID 122208595) has the molecular formula C16H14F2O4S2 and a molecular weight of 372.41 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene
PubChem CID122208595
Molecular FormulaC16H14F2O4S2
Molecular Weight372.41 g/mol
Exact Mass372.03
IUPAC Name[1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene
SMILESO=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CC1C(F)F
InChIInChI=1S/C16H14F2O4S2/c17-15(18)14-11-16(14,23(19,20)12-7-3-1-4-8-12)24(21,22)13-9-5-2-6-10-13/h1-10,14-15H,11H2
InChIKeyHNSAUKKLJXESCV-UHFFFAOYSA-N
XLogP2.92
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropane-1-carboxylate
CID 122208591
9,9-bis(benzenesulfonyl)tricyclo[4.2.2.02,5]deca-3,7-diene
CID 134117089
[(2R)-1-(benzenesulfonyl)-2-(3,3-dimethylbut-1-ynyl)cyclopropyl]sulfonylbenzene
CID 102328450
1-(benzenesulfonyl)bicyclo[2.1.0]pentane
CID 15737679
[(1R)-2,2-dimethylcyclopropyl]sulfonylbenzene
CID 95562608
(1S,5R)-3-(benzenesulfonyl)-3-phenyl-6-oxabicyclo[3.1.0]hexane
CID 10870308
(NE)-N-[6,6-bis(benzenesulfonyl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 135067019
[(2S,3R,4R)-1-(benzenesulfonyl)-4-ethenyl-3-(iodomethyl)-2-methylcyclopentyl]sulfonylbenzene
CID 102329851
(1-ethylcyclopropyl)sulfonylbenzene
CID 70894852
(1S,2S,5R,6R)-1,2-bis(benzenesulfonyl)tricyclo[4.2.0.02,5]octane
CID 11090383
[1-(benzenesulfonyl)cyclopentyl]sulfonylbenzene
CID 1380165
[(1R,2R)-2-(benzenesulfonyl)-1,2-dimethylcyclopropyl]sulfonylbenzene
CID 102329624

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene?
The IUPAC name of [1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene (CID 122208595) is [1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene.
What is the SMILES notation for [1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene?
The canonical SMILES for [1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene is O=S(=O)(c1ccccc1)C1(S(=O)(=O)c2ccccc2)CC1C(F)F.
What is the InChIKey of [1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene?
The InChIKey is HNSAUKKLJXESCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2O4S2/c17-15(18)14-11-16(14,23(19,20)12-7-3-1-4-8-12)24(21,22)13-9-5-2-6-10-13/h1-10,14-15H,11H2.
What are the key properties of [1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene?
[1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene has a molecular weight of 372.41 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-2-(difluoromethyl)cyclopropyl]sulfonylbenzene is sourced from PubChem (CID 122208595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).