1-methyl-4-(3-methylheptylsulfonyl)benzene

C15H24O2S — CID 131995099

IUPAC1-methyl-4-(3-methylheptylsulfonyl)benzene
SMILESCCCCC(C)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24O2S/c1-4-5-6-13(2)11-12-18(16,17)15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyUVCKPSJVEANUDM-UHFFFAOYSA-N
MW268.42 g/mol
LogP3.99
Rot. Bonds7

About 1-methyl-4-(3-methylheptylsulfonyl)benzene

1-methyl-4-(3-methylheptylsulfonyl)benzene (PubChem CID 131995099) has the molecular formula C15H24O2S and a molecular weight of 268.42 g/mol. Its IUPAC name is 1-methyl-4-(3-methylheptylsulfonyl)benzene.

Molecular Properties

Compound Name1-methyl-4-(3-methylheptylsulfonyl)benzene
PubChem CID131995099
Molecular FormulaC15H24O2S
Molecular Weight268.42 g/mol
Exact Mass268.15
IUPAC Name1-methyl-4-(3-methylheptylsulfonyl)benzene
SMILESCCCCC(C)CCS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H24O2S/c1-4-5-6-13(2)11-12-18(16,17)15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3
InChIKeyUVCKPSJVEANUDM-UHFFFAOYSA-N
XLogP3.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(3-methylheptylsulfonyl)benzene 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

1-(3,7-dimethyloctylsulfonyl)-4-methylbenzene
CID 70500415
1-dodecyl-4-(3-methyltridecylsulfonyl)benzene
CID 173458104
[(9S)-9-methyltridecyl]sulfonylbenzene
CID 11110546
[(3R,7S)-3,7-dimethylundecyl] 4-methylbenzenesulfonate
CID 134888943
[(4S)-4-methyloctadecyl]sulfonylbenzene
CID 10645166
[(2R)-2-(trideuteriomethyl)hexyl] 4-methylbenzenesulfonate
CID 71750615
1-methyl-4-[16-(4-methylphenyl)sulfonylhexadecylsulfonyl]benzene
CID 67740861
1-methyl-4-[19-(4-methylphenyl)sulfonylnonadecylsulfonyl]benzene
CID 67740848
[(4S)-4-methyloctadecyl] 4-methylbenzenesulfonate
CID 10741687
1-[(2R)-heptan-2-yl]sulfonyl-4-methylbenzene
CID 132821411
1-pentylsulfonyl-4-(4-pentylsulfonylphenyl)benzene
CID 160503976
butane;3-methyloctane;1,4-xylene
CID 144940276

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(3-methylheptylsulfonyl)benzene?
The IUPAC name of 1-methyl-4-(3-methylheptylsulfonyl)benzene (CID 131995099) is 1-methyl-4-(3-methylheptylsulfonyl)benzene.
What is the SMILES notation for 1-methyl-4-(3-methylheptylsulfonyl)benzene?
The canonical SMILES for 1-methyl-4-(3-methylheptylsulfonyl)benzene is CCCCC(C)CCS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-(3-methylheptylsulfonyl)benzene?
The InChIKey is UVCKPSJVEANUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2S/c1-4-5-6-13(2)11-12-18(16,17)15-9-7-14(3)8-10-15/h7-10,13H,4-6,11-12H2,1-3H3.
What are the key properties of 1-methyl-4-(3-methylheptylsulfonyl)benzene?
1-methyl-4-(3-methylheptylsulfonyl)benzene has a molecular weight of 268.42 g/mol, XLogP of 3.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(3-methylheptylsulfonyl)benzene is sourced from PubChem (CID 131995099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).