4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide

C15H25NO2S — CID 838084

IUPAC4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-12(2)10-11-16-19(17,18)14-8-6-13(7-9-14)15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyZFMBGHGAVZEXOT-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.31
Rot. Bonds5

About 4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide

4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide (PubChem CID 838084) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
PubChem CID838084
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
SMILESCC(C)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C15H25NO2S/c1-12(2)10-11-16-19(17,18)14-8-6-13(7-9-14)15(3,4)5/h6-9,12,16H,10-11H2,1-5H3
InChIKeyZFMBGHGAVZEXOT-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(3-methylbutyl)benzenesulfonamide
CID 669771
N-tert-butyl-4-(3-methylbutylsulfamoyl)benzamide
CID 109061117
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-(3-methylbutyl)acetamide
CID 113056923
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716767
N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide
CID 63733559
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
2,5-bis[(4-tert-butylphenyl)sulfonylamino]pentanoic acid
CID 135183823
4-(3-methylbutylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 109061279
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide (CID 838084) is 4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide is CC(C)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide?
The InChIKey is ZFMBGHGAVZEXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-12(2)10-11-16-19(17,18)14-8-6-13(7-9-14)15(3,4)5/h6-9,12,16H,10-11H2,1-5H3.
What are the key properties of 4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide?
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide is sourced from PubChem (CID 838084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).