5-tert-butyl-N,2,3-trimethylbenzenesulfonamide

C13H21NO2S — CID 927360

IUPAC5-tert-butyl-N,2,3-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C
InChIInChI=1S/C13H21NO2S/c1-9-7-11(13(3,4)5)8-12(10(9)2)17(15,16)14-6/h7-8,14H,1-6H3
InChIKeyOZWDWQCLQNVABV-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.51
Rot. Bonds2

About 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide

5-tert-butyl-N,2,3-trimethylbenzenesulfonamide (PubChem CID 927360) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N,2,3-trimethylbenzenesulfonamide
PubChem CID927360
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name5-tert-butyl-N,2,3-trimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C
InChIInChI=1S/C13H21NO2S/c1-9-7-11(13(3,4)5)8-12(10(9)2)17(15,16)14-6/h7-8,14H,1-6H3
InChIKeyOZWDWQCLQNVABV-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide (CID 927360) is 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(C(C)(C)C)cc(C)c1C.
What is the InChIKey of 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide?
The InChIKey is OZWDWQCLQNVABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-9-7-11(13(3,4)5)8-12(10(9)2)17(15,16)14-6/h7-8,14H,1-6H3.
What are the key properties of 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide?
5-tert-butyl-N,2,3-trimethylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N,2,3-trimethylbenzenesulfonamide is sourced from PubChem (CID 927360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).