N-(2-tert-butylphenyl)methanesulfonamide

C11H17NO2S — CID 6471129

IUPACN-(2-tert-butylphenyl)methanesulfonamide
SMILESCC(C)(C)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14/h5-8,12H,1-4H3
InChIKeyDOTMNCWXUGWDEE-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.36
Rot. Bonds2

About N-(2-tert-butylphenyl)methanesulfonamide

N-(2-tert-butylphenyl)methanesulfonamide (PubChem CID 6471129) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)methanesulfonamide
PubChem CID6471129
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-(2-tert-butylphenyl)methanesulfonamide
SMILESCC(C)(C)c1ccccc1NS(C)(=O)=O
InChIInChI=1S/C11H17NO2S/c1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14/h5-8,12H,1-4H3
InChIKeyDOTMNCWXUGWDEE-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)methanesulfonamide?
The IUPAC name of N-(2-tert-butylphenyl)methanesulfonamide (CID 6471129) is N-(2-tert-butylphenyl)methanesulfonamide.
What is the SMILES notation for N-(2-tert-butylphenyl)methanesulfonamide?
The canonical SMILES for N-(2-tert-butylphenyl)methanesulfonamide is CC(C)(C)c1ccccc1NS(C)(=O)=O.
What is the InChIKey of N-(2-tert-butylphenyl)methanesulfonamide?
The InChIKey is DOTMNCWXUGWDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-11(2,3)9-7-5-6-8-10(9)12-15(4,13)14/h5-8,12H,1-4H3.
What are the key properties of N-(2-tert-butylphenyl)methanesulfonamide?
N-(2-tert-butylphenyl)methanesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)methanesulfonamide is sourced from PubChem (CID 6471129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).