2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide

C12H19NO4S2 — CID 79556754

IUPAC2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H19NO4S2/c1-10-7-5-6-8-11(10)19(16,17)13-9-12(2,3)18(4,14)15/h5-8,13H,9H2,1-4H3
InChIKeyVUZIMOFEHNBLPU-UHFFFAOYSA-N
MW305.42 g/mol
LogP1.10
Rot. Bonds5

About 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide

2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide (PubChem CID 79556754) has the molecular formula C12H19NO4S2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
PubChem CID79556754
Molecular FormulaC12H19NO4S2
Molecular Weight305.42 g/mol
Exact Mass305.08
IUPAC Name2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C12H19NO4S2/c1-10-7-5-6-8-11(10)19(16,17)13-9-12(2,3)18(4,14)15/h5-8,13H,9H2,1-4H3
InChIKeyVUZIMOFEHNBLPU-UHFFFAOYSA-N
XLogP1.10
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromo-2,2-dimethylpropyl)-2-methylbenzenesulfonamide
CID 115365244
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylbenzenesulfonamide
CID 103835619
2-methyl-N-[(1-methylcyclopropyl)methyl]benzenesulfonamide
CID 103723870
methyl-methylidene-[2-methyl-1-[(2-methylphenyl)sulfonylamino]butan-2-yl]azanium
CID 123201963
2-methyl-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 79477673
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-2-methylbenzenesulfonamide
CID 110291476
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
5-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-pyrazole-4-sulfonamide
CID 79555430
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
3-amino-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide
CID 79551722
N-(2-cyclobutylethyl)-2-methylbenzenesulfonamide
CID 115690445

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The IUPAC name of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide (CID 79556754) is 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide is Cc1ccccc1S(=O)(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
The InChIKey is VUZIMOFEHNBLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4S2/c1-10-7-5-6-8-11(10)19(16,17)13-9-12(2,3)18(4,14)15/h5-8,13H,9H2,1-4H3.
What are the key properties of 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide?
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide has a molecular weight of 305.42 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-2-methylsulfonylpropyl)benzenesulfonamide is sourced from PubChem (CID 79556754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).