1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene

C17H18O2S — CID 70867631

IUPAC1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)C2C(C)C2c2ccccc2)cc1
InChIInChI=1S/C17H18O2S/c1-12-8-10-15(11-9-12)20(18,19)17-13(2)16(17)14-6-4-3-5-7-14/h3-11,13,16-17H,1-2H3
InChIKeyRWGXDDKBDPLMJS-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.57
Rot. Bonds3

About 1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene

1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene (PubChem CID 70867631) has the molecular formula C17H18O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
PubChem CID70867631
Molecular FormulaC17H18O2S
Molecular Weight286.40 g/mol
Exact Mass286.10
IUPAC Name1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)C2C(C)C2c2ccccc2)cc1
InChIInChI=1S/C17H18O2S/c1-12-8-10-15(11-9-12)20(18,19)17-13(2)16(17)14-6-4-3-5-7-14/h3-11,13,16-17H,1-2H3
InChIKeyRWGXDDKBDPLMJS-UHFFFAOYSA-N
XLogP3.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-2-(4-methylphenyl)sulfonyl-3-phenyloxirane
CID 102316632
(1R,2R,3R)-1-(4-methylphenyl)sulfonyl-2,3-diphenyl-2,3-dihydro-1H-indene
CID 134982597
[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 124858397
[(1S,2S,3S)-2-(4-methylphenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanamine
CID 124858189
(4R)-2,2-dimethyl-3-(4-methylphenyl)sulfonyl-4,5-diphenylpyrrolidine
CID 157385773
2-(3-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carboxylic acid
CID 102570368
[(1S,2R,3S)-2-(benzenesulfonyl)-3-phenylcyclopropyl]-phenylmethanone
CID 15419338
[(1S,2R,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanamine
CID 124746264
[(1R,2S,3R)-2-(benzenesulfonyl)-3-phenylcyclopropyl]methanol
CID 99722754
(2R,3R)-2-(benzenesulfonyl)-3-(4-methylphenyl)oxirane
CID 135001050
(1S,2S,3S)-2-(4-chlorophenyl)-3-(4-methylphenyl)sulfonylcyclopropane-1-carbaldehyde
CID 124745935
[2-(4-fluorophenyl)-3-(4-methylphenyl)sulfonylcyclopropyl]methanol
CID 102570681

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene?
The IUPAC name of 1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene (CID 70867631) is 1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene?
The canonical SMILES for 1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene is Cc1ccc(S(=O)(=O)C2C(C)C2c2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene?
The InChIKey is RWGXDDKBDPLMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2S/c1-12-8-10-15(11-9-12)20(18,19)17-13(2)16(17)14-6-4-3-5-7-14/h3-11,13,16-17H,1-2H3.
What are the key properties of 1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene?
1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene has a molecular weight of 286.40 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyl-3-phenylcyclopropyl)sulfonylbenzene is sourced from PubChem (CID 70867631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).