4-tert-butyl-N-ethylbenzenesulfonamide

C12H19NO2S — CID 846956

IUPAC4-tert-butyl-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-5-13-16(14,15)11-8-6-10(7-9-11)12(2,3)4/h6-9,13H,5H2,1-4H3
InChIKeyLVKBKLWVXIKPDK-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.28
Rot. Bonds3

About 4-tert-butyl-N-ethylbenzenesulfonamide

4-tert-butyl-N-ethylbenzenesulfonamide (PubChem CID 846956) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-tert-butyl-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-ethylbenzenesulfonamide
PubChem CID846956
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-tert-butyl-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H19NO2S/c1-5-13-16(14,15)11-8-6-10(7-9-11)12(2,3)4/h6-9,13H,5H2,1-4H3
InChIKeyLVKBKLWVXIKPDK-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 8716590
N-ethyl-4-hydroxybenzenesulfonamide
CID 43135494
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
4-tert-butyl-N-(3-hydroxy-2,2-dimethylpropyl)benzenesulfonamide
CID 115362965
2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716767
N-(2-aminopropyl)-4-tert-butylbenzenesulfonamide
CID 63733559
2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 9189386
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-amino-N-ethylbenzenesulfonamide;molecular hydrogen
CID 143629087
4-amino-N-[(4-tert-butylphenyl)methyl]benzenesulfonamide
CID 9150177
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
N-butan-2-yl-2-[(4-tert-butylphenyl)sulfonylamino]acetamide
CID 112990855

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-ethylbenzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-ethylbenzenesulfonamide (CID 846956) is 4-tert-butyl-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-ethylbenzenesulfonamide?
The InChIKey is LVKBKLWVXIKPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-5-13-16(14,15)11-8-6-10(7-9-11)12(2,3)4/h6-9,13H,5H2,1-4H3.
What are the key properties of 4-tert-butyl-N-ethylbenzenesulfonamide?
4-tert-butyl-N-ethylbenzenesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-ethylbenzenesulfonamide is sourced from PubChem (CID 846956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).