5-tert-butyl-2-propan-2-ylbenzenesulfonamide

C13H21NO2S — CID 746642

IUPAC5-tert-butyl-2-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(C(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H21NO2S/c1-9(2)11-7-6-10(13(3,4)5)8-12(11)17(14,15)16/h6-9H,1-5H3,(H2,14,15,16)
InChIKeyWCSXVMWFNUCPQW-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.75
Rot. Bonds2

About 5-tert-butyl-2-propan-2-ylbenzenesulfonamide

5-tert-butyl-2-propan-2-ylbenzenesulfonamide (PubChem CID 746642) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 5-tert-butyl-2-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-2-propan-2-ylbenzenesulfonamide
PubChem CID746642
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name5-tert-butyl-2-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(C(C)(C)C)cc1S(N)(=O)=O
InChIInChI=1S/C13H21NO2S/c1-9(2)11-7-6-10(13(3,4)5)8-12(11)17(14,15)16/h6-9H,1-5H3,(H2,14,15,16)
InChIKeyWCSXVMWFNUCPQW-UHFFFAOYSA-N
XLogP2.75
TPSA60.16 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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-propan-2-ylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-2-propan-2-ylbenzenesulfonamide (CID 746642) is 5-tert-butyl-2-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-2-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-2-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(C(C)(C)C)cc1S(N)(=O)=O.
What is the InChIKey of 5-tert-butyl-2-propan-2-ylbenzenesulfonamide?
The InChIKey is WCSXVMWFNUCPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-9(2)11-7-6-10(13(3,4)5)8-12(11)17(14,15)16/h6-9H,1-5H3,(H2,14,15,16).
What are the key properties of 5-tert-butyl-2-propan-2-ylbenzenesulfonamide?
5-tert-butyl-2-propan-2-ylbenzenesulfonamide has a molecular weight of 255.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 746642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).