N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide

C14H24N2O3S — CID 119973145

IUPACN-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)NCCNC)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-4-5-12-19-13-6-8-14(9-7-13)20(17,18)16-11-10-15-2/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyONBOEWNDYXXSPX-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.75
Rot. Bonds10

About N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide

N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide (PubChem CID 119973145) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide
PubChem CID119973145
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC NameN-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide
SMILESCCCCCOc1ccc(S(=O)(=O)NCCNC)cc1
InChIInChI=1S/C14H24N2O3S/c1-3-4-5-12-19-13-6-8-14(9-7-13)20(17,18)16-11-10-15-2/h6-9,15-16H,3-5,10-12H2,1-2H3
InChIKeyONBOEWNDYXXSPX-UHFFFAOYSA-N
XLogP1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide 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-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-[2-(ethylamino)ethoxy]-N-pentylbenzenesulfonamide
CID 106058279
4-pentoxy-N-prop-2-enylbenzenesulfonamide
CID 43845618
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491
4-[3-(methylamino)propoxy]-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 106063766
4-heptoxy-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 4950690
N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide
CID 47173310
ethyl 4-[(4-butoxyphenyl)sulfonylamino]butanoate
CID 3867578
1-dodecoxy-4-[(4-dodecoxyphenyl)sulfonylmethylsulfonyl]benzene
CID 23437512
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
N-methyl-2-(4-propylsulfonylphenoxy)ethanamine
CID 55065350

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide?
The IUPAC name of N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide (CID 119973145) is N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide?
The canonical SMILES for N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide is CCCCCOc1ccc(S(=O)(=O)NCCNC)cc1.
What is the InChIKey of N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide?
The InChIKey is ONBOEWNDYXXSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-3-4-5-12-19-13-6-8-14(9-7-13)20(17,18)16-11-10-15-2/h6-9,15-16H,3-5,10-12H2,1-2H3.
What are the key properties of N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide?
N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.75, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-4-pentoxybenzenesulfonamide is sourced from PubChem (CID 119973145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).