2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene

C15H24O4S2 — CID 90395561

IUPAC2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene
SMILESCC(C)(C)C(C)(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O
InChIInChI=1S/C15H24O4S2/c1-14(2,3)15(4,5)12-9-8-11(20(6,16)17)10-13(12)21(7,18)19/h8-10H,1-7H3
InChIKeyVTNSVKVDPQAXHE-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.82
Rot. Bonds3

About 2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene

2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene (PubChem CID 90395561) has the molecular formula C15H24O4S2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene.

Molecular Properties

Compound Name2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene
PubChem CID90395561
Molecular FormulaC15H24O4S2
Molecular Weight332.49 g/mol
Exact Mass332.11
IUPAC Name2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene
SMILESCC(C)(C)C(C)(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O
InChIInChI=1S/C15H24O4S2/c1-14(2,3)15(4,5)12-9-8-11(20(6,16)17)10-13(12)21(7,18)19/h8-10H,1-7H3
InChIKeyVTNSVKVDPQAXHE-UHFFFAOYSA-N
XLogP2.82
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene?
The IUPAC name of 2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene (CID 90395561) is 2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene.
What is the SMILES notation for 2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene?
The canonical SMILES for 2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene is CC(C)(C)C(C)(C)c1ccc(S(C)(=O)=O)cc1S(C)(=O)=O.
What is the InChIKey of 2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene?
The InChIKey is VTNSVKVDPQAXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4S2/c1-14(2,3)15(4,5)12-9-8-11(20(6,16)17)10-13(12)21(7,18)19/h8-10H,1-7H3.
What are the key properties of 2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene?
2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene has a molecular weight of 332.49 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(methylsulfonyl)-1-(2,3,3-trimethylbutan-2-yl)benzene is sourced from PubChem (CID 90395561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).