2-tert-butyl-N-methylbenzenesulfonamide

C11H17NO2S — CID 118909876

IUPAC2-tert-butyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C11H17NO2S/c1-11(2,3)9-7-5-6-8-10(9)15(13,14)12-4/h5-8,12H,1-4H3
InChIKeyOVSCJFRDIYRVAD-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.89
Rot. Bonds2

About 2-tert-butyl-N-methylbenzenesulfonamide

2-tert-butyl-N-methylbenzenesulfonamide (PubChem CID 118909876) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-tert-butyl-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-tert-butyl-N-methylbenzenesulfonamide
PubChem CID118909876
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-tert-butyl-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1C(C)(C)C
InChIInChI=1S/C11H17NO2S/c1-11(2,3)9-7-5-6-8-10(9)15(13,14)12-4/h5-8,12H,1-4H3
InChIKeyOVSCJFRDIYRVAD-UHFFFAOYSA-N
XLogP1.89
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

lithium 2-tert-butylbenzenesulfonate
CID 23719371
N-(2-aminoethyl)-2-tert-butylbenzenesulfonamide
CID 86814125
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide
CID 143195069
2-bromo-N-methylbenzenesulfonamide
CID 850141
2-tert-butyl-N-(4-fluorophenyl)benzenesulfonamide;hydrochloride
CID 143195068
N-methyl-2-[[2-(methylsulfamoyl)phenyl]diselanyl]benzenesulfonamide
CID 10553370
2-(1-hydroxy-2,2-dimethylpropyl)-N-methylbenzenesulfonamide
CID 44723629
2-acetyl-N-methylbenzenesulfonamide
CID 130548930
2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-(methoxyamino)-N-methylbenzenesulfonamide
CID 23002402
2-tert-butyl-N-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzenesulfonamide
CID 71993039
2-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 67449324

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-methylbenzenesulfonamide?
The IUPAC name of 2-tert-butyl-N-methylbenzenesulfonamide (CID 118909876) is 2-tert-butyl-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-tert-butyl-N-methylbenzenesulfonamide?
The canonical SMILES for 2-tert-butyl-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-methylbenzenesulfonamide?
The InChIKey is OVSCJFRDIYRVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,3)9-7-5-6-8-10(9)15(13,14)12-4/h5-8,12H,1-4H3.
What are the key properties of 2-tert-butyl-N-methylbenzenesulfonamide?
2-tert-butyl-N-methylbenzenesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-methylbenzenesulfonamide is sourced from PubChem (CID 118909876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).