N-(2-ethylhexyl)octane-1-sulfonamide

C16H35NO2S — CID 20789896

IUPACN-(2-ethylhexyl)octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)NCC(CC)CCCC
InChIInChI=1S/C16H35NO2S/c1-4-7-9-10-11-12-14-20(18,19)17-15-16(6-3)13-8-5-2/h16-17H,4-15H2,1-3H3
InChIKeyPZTVQOJATBJMME-UHFFFAOYSA-N
MW305.53 g/mol
LogP4.48
Rot. Bonds14

About N-(2-ethylhexyl)octane-1-sulfonamide

N-(2-ethylhexyl)octane-1-sulfonamide (PubChem CID 20789896) has the molecular formula C16H35NO2S and a molecular weight of 305.53 g/mol. Its IUPAC name is N-(2-ethylhexyl)octane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)octane-1-sulfonamide
PubChem CID20789896
Molecular FormulaC16H35NO2S
Molecular Weight305.53 g/mol
Exact Mass305.24
IUPAC NameN-(2-ethylhexyl)octane-1-sulfonamide
SMILESCCCCCCCCS(=O)(=O)NCC(CC)CCCC
InChIInChI=1S/C16H35NO2S/c1-4-7-9-10-11-12-14-20(18,19)17-15-16(6-3)13-8-5-2/h16-17H,4-15H2,1-3H3
InChIKeyPZTVQOJATBJMME-UHFFFAOYSA-N
XLogP4.48
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.53
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-ethylhexyl)octane-1-sulfonamide 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

N-(12-aminododecyl)hexadecane-1-sulfonamide
CID 16109577
N-(2-ethylhexyl)methanesulfonamide
CID 5176352
Myristyl ammonium propane sulphonate
CID 129867811
1-cyclohexyl-N-[(2S)-5-methylhexan-2-yl]methanesulfonamide
CID 95733766
Heptylammonium dodecanesulfonate
CID 129851805
Octylammonium octanesulfonate
CID 129851807
3-(Aminomethyl)-5-methylhexane-1-sulfonyl fluoride
CID 165868733
N-(cyclohexylmethyl)butane-1-sulfonamide
CID 19684283
N-(5-methylhexan-2-yl)propane-2-sulfonamide
CID 61361229
N-octadecyl-3-sulfanylpropane-1-sulfonamide
CID 91691177
n-Octyloctane-1-sulfonamide
CID 229613
N-(cyclohexylmethyl)ethanesulfonamide
CID 6466313

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)octane-1-sulfonamide?
The IUPAC name of N-(2-ethylhexyl)octane-1-sulfonamide (CID 20789896) is N-(2-ethylhexyl)octane-1-sulfonamide.
What is the SMILES notation for N-(2-ethylhexyl)octane-1-sulfonamide?
The canonical SMILES for N-(2-ethylhexyl)octane-1-sulfonamide is CCCCCCCCS(=O)(=O)NCC(CC)CCCC.
What is the InChIKey of N-(2-ethylhexyl)octane-1-sulfonamide?
The InChIKey is PZTVQOJATBJMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2S/c1-4-7-9-10-11-12-14-20(18,19)17-15-16(6-3)13-8-5-2/h16-17H,4-15H2,1-3H3.
What are the key properties of N-(2-ethylhexyl)octane-1-sulfonamide?
N-(2-ethylhexyl)octane-1-sulfonamide has a molecular weight of 305.53 g/mol, XLogP of 4.48, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)octane-1-sulfonamide is sourced from PubChem (CID 20789896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).