N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide

C15H25NO2S — CID 3366969

IUPACN-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-12(2)13-6-8-14(9-7-13)19(17,18)16-11-10-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyZQDCLJYFLPEFQY-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.52
Rot. Bonds5

About N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide

N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide (PubChem CID 3366969) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide
PubChem CID3366969
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1ccc(S(=O)(=O)NCCC(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-12(2)13-6-8-14(9-7-13)19(17,18)16-11-10-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyZQDCLJYFLPEFQY-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide?
The IUPAC name of N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide (CID 3366969) is N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide?
The canonical SMILES for N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide is CC(C)c1ccc(S(=O)(=O)NCCC(C)(C)C)cc1.
What is the InChIKey of N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide?
The InChIKey is ZQDCLJYFLPEFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(2)13-6-8-14(9-7-13)19(17,18)16-11-10-15(3,4)5/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide?
N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutyl)-4-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 3366969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).