4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide

C14H24N2O2S — CID 61456563

IUPAC4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)CCCCN
InChIInChI=1S/C14H24N2O2S/c1-3-12-8-7-9-13(4-2)14(12)16-19(17,18)11-6-5-10-15/h7-9,16H,3-6,10-11,15H2,1-2H3
InChIKeyQDDUXSKTCQPJJO-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.29
Rot. Bonds8

About 4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide

4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide (PubChem CID 61456563) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide
PubChem CID61456563
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide
SMILESCCc1cccc(CC)c1NS(=O)(=O)CCCCN
InChIInChI=1S/C14H24N2O2S/c1-3-12-8-7-9-13(4-2)14(12)16-19(17,18)11-6-5-10-15/h7-9,16H,3-6,10-11,15H2,1-2H3
InChIKeyQDDUXSKTCQPJJO-UHFFFAOYSA-N
XLogP2.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,6-diethylphenyl)propane-1-sulfonamide
CID 54944840
4-amino-N-[(2-ethylphenyl)methyl]butane-1-sulfonamide
CID 64682841
4-amino-N-(3-ethylphenyl)butane-1-sulfonamide
CID 54952501
3-[(2,6-diethylphenyl)sulfamoyl]propanoic acid
CID 28514287
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654
4-amino-N-(6-methyl-2-pyridinyl)butane-1-sulfonamide
CID 61456032
4-amino-N-[(2-methylphenyl)methyl]butane-1-sulfonamide
CID 54952252
N-(2,6-dihydroxyphenyl)hexadecane-1-sulfonamide
CID 22758999
N-[3-(4-aminobutylsulfonylamino)phenyl]acetamide
CID 61456491
N-(2,6-difluorophenyl)propane-1-sulfonamide
CID 60640758
4-chloro-N-(3-chloro-2,6-diethylphenyl)butane-1-sulfonamide
CID 116814873
4-amino-N-pyridin-2-ylbutane-1-sulfonamide
CID 61456018

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide?
The IUPAC name of 4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide (CID 61456563) is 4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide.
What is the SMILES notation for 4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide?
The canonical SMILES for 4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide is CCc1cccc(CC)c1NS(=O)(=O)CCCCN.
What is the InChIKey of 4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide?
The InChIKey is QDDUXSKTCQPJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-3-12-8-7-9-13(4-2)14(12)16-19(17,18)11-6-5-10-15/h7-9,16H,3-6,10-11,15H2,1-2H3.
What are the key properties of 4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide?
4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,6-diethylphenyl)butane-1-sulfonamide is sourced from PubChem (CID 61456563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).