N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide

C15H26N2O3S — CID 43506942

IUPACN-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NCCCOCC)c1
InChIInChI=1S/C15H26N2O3S/c1-4-16-13(3)14-8-6-9-15(12-14)21(18,19)17-10-7-11-20-5-2/h6,8-9,12-13,16-17H,4-5,7,10-11H2,1-3H3
InChIKeyVBGZREWUFBDIRG-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.06
Rot. Bonds10

About N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide

N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide (PubChem CID 43506942) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
PubChem CID43506942
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC NameN-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
SMILESCCNC(C)c1cccc(S(=O)(=O)NCCCOCC)c1
InChIInChI=1S/C15H26N2O3S/c1-4-16-13(3)14-8-6-9-15(12-14)21(18,19)17-10-7-11-20-5-2/h6,8-9,12-13,16-17H,4-5,7,10-11H2,1-3H3
InChIKeyVBGZREWUFBDIRG-UHFFFAOYSA-N
XLogP2.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43591525
N-(cyclopentylmethyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 43507135
N-(2,2-dimethylpropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 61167664
3-[1-(ethylamino)ethyl]-N-phenylbenzenesulfonamide
CID 43506659
3-ethoxy-N-[(1S)-1-(3-methylphenyl)ethyl]propan-1-amine
CID 81360459
N-(3,3-dimethylbutan-2-yl)-3-[1-(ethylamino)ethyl]benzenesulfonamide
CID 104828856
3-[1-[3-(2-methylpropoxy)propylamino]ethyl]benzenesulfonamide
CID 43770073
3-[1-(ethylamino)ethyl]-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176656
3-ethoxy-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43196156
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
3-(1-hydroxyethyl)-N-pentylbenzenesulfonamide
CID 43507340
3-[1-(methylamino)ethyl]-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 63957668

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide (CID 43506942) is N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide is CCNC(C)c1cccc(S(=O)(=O)NCCCOCC)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
The InChIKey is VBGZREWUFBDIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-16-13(3)14-8-6-9-15(12-14)21(18,19)17-10-7-11-20-5-2/h6,8-9,12-13,16-17H,4-5,7,10-11H2,1-3H3.
What are the key properties of N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide?
N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.06, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[1-(ethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43506942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).