N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide

C10H16N2O3S — CID 63766574

IUPACN-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
SMILESNCCOCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H16N2O3S/c11-6-8-15-9-7-12-16(13,14)10-4-2-1-3-5-10/h1-5,12H,6-9,11H2
InChIKeyIDNHWPPELHSMFN-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.06
Rot. Bonds7

About N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide

N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide (PubChem CID 63766574) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
PubChem CID63766574
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-[2-(2-aminoethoxy)ethyl]benzenesulfonamide
SMILESNCCOCCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C10H16N2O3S/c11-6-8-15-9-7-12-16(13,14)10-4-2-1-3-5-10/h1-5,12H,6-9,11H2
InChIKeyIDNHWPPELHSMFN-UHFFFAOYSA-N
XLogP-0.06
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide 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-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 55243530
N-[2-[2-(dimethylamino)ethoxy]ethyl]benzenesulfonamide
CID 104538372
N-[2-[2-[3-(benzenesulfonyl)propoxy]ethoxy]ethyl]benzenesulfonamide
CID 123703958
2-[2-(benzenesulfonamido)ethoxy]acetamide
CID 103766575
N-[2-(2-aminoethoxy)ethyl]-1-phenylmethanesulfonamide
CID 63765237
1-[2-[2-[2-(benzenesulfonamido)ethoxy]ethoxy]ethyl]-3-methylurea
CID 160918507
N-[3-[4-[4-(benzenesulfonyl)butoxy]butoxy]propyl]benzenesulfonamide
CID 123390422
N-[3-(2-aminoethoxy)propyl]pyridine-3-sulfonamide
CID 114171596
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 63767527
2-(2-aminoethoxy)ethanol;3-bromobenzenesulfonyl chloride;3-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 160861849
N-[2-[2-(benzenesulfonamido)ethylamino]ethyl]benzenesulfonamide
CID 58729757
N-[3-(2-aminoethoxy)propyl]-4-propylbenzenesulfonamide
CID 106308170

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide (CID 63766574) is N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide is NCCOCCNS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide?
The InChIKey is IDNHWPPELHSMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c11-6-8-15-9-7-12-16(13,14)10-4-2-1-3-5-10/h1-5,12H,6-9,11H2.
What are the key properties of N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide?
N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 63766574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).