4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide

C16H28N2O2S — CID 63004765

IUPAC4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)NCCCC(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-17-14(4)15-8-10-16(11-9-15)21(19,20)18-12-6-7-13(2)3/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyZENMVFUXVXEJCU-UHFFFAOYSA-N
MW312.48 g/mol
LogP3.07
Rot. Bonds9

About 4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide

4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide (PubChem CID 63004765) has the molecular formula C16H28N2O2S and a molecular weight of 312.48 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide
PubChem CID63004765
Molecular FormulaC16H28N2O2S
Molecular Weight312.48 g/mol
Exact Mass312.19
IUPAC Name4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide
SMILESCCNC(C)c1ccc(S(=O)(=O)NCCCC(C)C)cc1
InChIInChI=1S/C16H28N2O2S/c1-5-17-14(4)15-8-10-16(11-9-15)21(19,20)18-12-6-7-13(2)3/h8-11,13-14,17-18H,5-7,12H2,1-4H3
InChIKeyZENMVFUXVXEJCU-UHFFFAOYSA-N
XLogP3.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(ethylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957667
4-(ethylamino)-N-(4-methylpentyl)benzenesulfonamide
CID 63002794
4-chloro-N-(4-methylpentyl)benzenesulfonamide
CID 3318500
4-(ethylaminomethyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63003905
N-(2-methylpropyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506735
4-[1-(ethylamino)ethyl]-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63958315
N-(2-ethoxyethyl)-4-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591522
N-[2-(ethylamino)ethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 119973798
4-(hydroxymethyl)-N-(7-methyloctyl)benzenesulfonamide
CID 107818586
4-(3-aminoprop-1-ynyl)-N-(4-methylpentyl)benzenesulfonamide
CID 63004010
4-[1-(ethylamino)ethyl]-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106401421
4-(1-aminoethyl)-N-pentylbenzenesulfonamide
CID 43095770

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide (CID 63004765) is 4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide is CCNC(C)c1ccc(S(=O)(=O)NCCCC(C)C)cc1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide?
The InChIKey is ZENMVFUXVXEJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2S/c1-5-17-14(4)15-8-10-16(11-9-15)21(19,20)18-12-6-7-13(2)3/h8-11,13-14,17-18H,5-7,12H2,1-4H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide?
4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide has a molecular weight of 312.48 g/mol, XLogP of 3.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-(4-methylpentyl)benzenesulfonamide is sourced from PubChem (CID 63004765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).