N-pentan-2-ylbenzenesulfonamide

C11H17NO2S — CID 653062

IUPACN-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-3-7-10(2)12-15(13,14)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3
InChIKeyJZRHVCORTRGUJJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.15
Rot. Bonds5

About N-pentan-2-ylbenzenesulfonamide

N-pentan-2-ylbenzenesulfonamide (PubChem CID 653062) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is N-pentan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-pentan-2-ylbenzenesulfonamide
PubChem CID653062
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC NameN-pentan-2-ylbenzenesulfonamide
SMILESCCCC(C)NS(=O)(=O)c1ccccc1
InChIInChI=1S/C11H17NO2S/c1-3-7-10(2)12-15(13,14)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3
InChIKeyJZRHVCORTRGUJJ-UHFFFAOYSA-N
XLogP2.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-pentan-2-ylbenzenesulfonamide?
The IUPAC name of N-pentan-2-ylbenzenesulfonamide (CID 653062) is N-pentan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-pentan-2-ylbenzenesulfonamide?
The canonical SMILES for N-pentan-2-ylbenzenesulfonamide is CCCC(C)NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-pentan-2-ylbenzenesulfonamide?
The InChIKey is JZRHVCORTRGUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-3-7-10(2)12-15(13,14)11-8-5-4-6-9-11/h4-6,8-10,12H,3,7H2,1-2H3.
What are the key properties of N-pentan-2-ylbenzenesulfonamide?
N-pentan-2-ylbenzenesulfonamide has a molecular weight of 227.33 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-ylbenzenesulfonamide is sourced from PubChem (CID 653062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).