4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide

C16H28N2O2S — CID 8716590

IUPAC4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-18(7-2)13-12-17-21(19,20)15-10-8-14(9-11-15)16(3,4)5/h8-11,17H,6-7,12-13H2,1-5H3
InChIKeyUYQUZIMKBWLXEY-UHFFFAOYSA-N
MW312.48 g/mol
LogP2.60
Rot. Bonds7

About 4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide

4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide (PubChem CID 8716590) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
PubChem CID8716590
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide
SMILESCCN(CC)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-6-18(7-2)13-12-17-21(19,20)15-10-8-14(9-11-15)16(3,4)5/h8-11,17H,6-7,12-13H2,1-5H3
InChIKeyUYQUZIMKBWLXEY-UHFFFAOYSA-N
XLogP2.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide;hydron;chloride
CID 2998823
4-(4-aminophenyl)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 110454407
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
N-[2-[(4-tert-butylphenyl)sulfonylamino]ethyl]-N-propylacetamide
CID 113051954
N-[2-(diethylamino)ethyl]naphthalene-2-sulfonamide
CID 8716562
3-bromo-4-chloro-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106545043
4-(2-aminoethoxy)-N-[2-(diethylamino)ethyl]benzenesulfonamide
CID 106034374
2-[(4-tert-butylphenyl)sulfonylamino]ethyl-dimethylazanium
CID 8716767
4-tert-butyl-N-(3-methylbutyl)benzenesulfonamide
CID 838084
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-ethylbenzenesulfonamide
CID 110425143
N-[2-(diethylamino)ethyl]-4-(ethylsulfamoyl)benzamide
CID 26532746

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide (CID 8716590) is 4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide is CCN(CC)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide?
The InChIKey is UYQUZIMKBWLXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-6-18(7-2)13-12-17-21(19,20)15-10-8-14(9-11-15)16(3,4)5/h8-11,17H,6-7,12-13H2,1-5H3.
What are the key properties of 4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide?
4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-(diethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 8716590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).