[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone

C22H18O3S — CID 15419338

IUPAC[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18O3S/c23-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22(20)26(24,25)18-14-8-3-9-15-18/h1-15,19-20,22H/t19-,20+,22-/m1/s1
InChIKeyJBSTZSDZTWOAAB-RZUBCFFCSA-N
MW362.45 g/mol
LogP4.13
Rot. Bonds5

About [(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone

[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone (PubChem CID 15419338) has the molecular formula C22H18O3S and a molecular weight of 362.45 g/mol. Its IUPAC name is [(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone.

Molecular Properties

Compound Name[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
PubChem CID15419338
Molecular FormulaC22H18O3S
Molecular Weight362.45 g/mol
Exact Mass362.10
IUPAC Name[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H18O3S/c23-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22(20)26(24,25)18-14-8-3-9-15-18/h1-15,19-20,22H/t19-,20+,22-/m1/s1
InChIKeyJBSTZSDZTWOAAB-RZUBCFFCSA-N
XLogP4.13
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
[(1R,2S,3R)-2-(benzenesulfonyl)-3-(trifluoromethyl)cyclopropyl]-phenylmethanone
CID 54577912
(1S,2R,3S)-2-(benzenesulfonyl)-3-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 124858625
[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414
4-[(2S,3R)-2,3-diphenylcyclopropanecarbonyl]benzoic acid
CID 11156987
[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
CID 124746264
phenyl-[(1S,8R,9S,10R)-10-phenyl-9-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]methanone
CID 154708999
2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
CID 102570368
[(1R,2R)-2-benzoyl-3-(4-methylphenyl)cyclopropyl]-phenylmethanone
CID 102521707
1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
CID 70867631
phenyl-[(1R,2R,3S,4R)-3-phenyl-2-bicyclo[2.2.1]hept-5-enyl]methanone
CID 99951737

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone?
The IUPAC name of [(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone (CID 15419338) is [(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone.
What is the SMILES notation for [(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone?
The canonical SMILES for [(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone is O=C(c1ccccc1)[C@@H]1[C@@H](c2ccccc2)[C@H]1S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone?
The InChIKey is JBSTZSDZTWOAAB-RZUBCFFCSA-N. The full InChI is InChI=1S/C22H18O3S/c23-21(17-12-6-2-7-13-17)20-19(16-10-4-1-5-11-16)22(20)26(24,25)18-14-8-3-9-15-18/h1-15,19-20,22H/t19-,20+,22-/m1/s1.
What are the key properties of [(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone?
[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone has a molecular weight of 362.45 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone is sourced from PubChem (CID 15419338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).