4-ethyl-N-hexylbenzenesulfonamide

C14H23NO2S — CID 19681236

IUPAC4-ethyl-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H23NO2S/c1-3-5-6-7-12-15-18(16,17)14-10-8-13(4-2)9-11-14/h8-11,15H,3-7,12H2,1-2H3
InChIKeyBBPLKKGEJKDDBQ-UHFFFAOYSA-N
MW269.41 g/mol
LogP3.11
Rot. Bonds8

About 4-ethyl-N-hexylbenzenesulfonamide

4-ethyl-N-hexylbenzenesulfonamide (PubChem CID 19681236) has the molecular formula C14H23NO2S and a molecular weight of 269.41 g/mol. Its IUPAC name is 4-ethyl-N-hexylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-N-hexylbenzenesulfonamide
PubChem CID19681236
Molecular FormulaC14H23NO2S
Molecular Weight269.41 g/mol
Exact Mass269.14
IUPAC Name4-ethyl-N-hexylbenzenesulfonamide
SMILESCCCCCCNS(=O)(=O)c1ccc(CC)cc1
InChIInChI=1S/C14H23NO2S/c1-3-5-6-7-12-15-18(16,17)14-10-8-13(4-2)9-11-14/h8-11,15H,3-7,12H2,1-2H3
InChIKeyBBPLKKGEJKDDBQ-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-4-ethylbenzenesulfonamide
CID 28754062
4-(cyanomethyl)-N-hexylbenzenesulfonamide
CID 79195889
N-tridecylbenzenesulfonamide
CID 3514704
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161
2-[(4-ethylphenyl)sulfonylamino]-N-pentylacetamide
CID 112995294
N-[[4-(hexylsulfamoyl)phenyl]methyl]acetamide
CID 17473598
N-(2-aminoethyl)-4-ethylbenzenesulfonamide
CID 28753957
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
N-(3-butoxypropyl)-4-hexylbenzenesulfonamide
CID 84556936
N-[3-(cyclopropylamino)propyl]-4-ethylbenzenesulfonamide
CID 43598649
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-hexylbenzenesulfonamide?
The IUPAC name of 4-ethyl-N-hexylbenzenesulfonamide (CID 19681236) is 4-ethyl-N-hexylbenzenesulfonamide.
What is the SMILES notation for 4-ethyl-N-hexylbenzenesulfonamide?
The canonical SMILES for 4-ethyl-N-hexylbenzenesulfonamide is CCCCCCNS(=O)(=O)c1ccc(CC)cc1.
What is the InChIKey of 4-ethyl-N-hexylbenzenesulfonamide?
The InChIKey is BBPLKKGEJKDDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2S/c1-3-5-6-7-12-15-18(16,17)14-10-8-13(4-2)9-11-14/h8-11,15H,3-7,12H2,1-2H3.
What are the key properties of 4-ethyl-N-hexylbenzenesulfonamide?
4-ethyl-N-hexylbenzenesulfonamide has a molecular weight of 269.41 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-hexylbenzenesulfonamide is sourced from PubChem (CID 19681236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).