4-(2-ethoxyethylamino)benzenesulfonamide

C10H16N2O3S — CID 43591264

IUPAC4-(2-ethoxyethylamino)benzenesulfonamide
SMILESCCOCCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O3S/c1-2-15-8-7-12-9-3-5-10(6-4-9)16(11,13)14/h3-6,12H,2,7-8H2,1H3,(H2,11,13,14)
InChIKeyDWQCWCJZOATVBE-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.78
Rot. Bonds6

About 4-(2-ethoxyethylamino)benzenesulfonamide

4-(2-ethoxyethylamino)benzenesulfonamide (PubChem CID 43591264) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 4-(2-ethoxyethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-ethoxyethylamino)benzenesulfonamide
PubChem CID43591264
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name4-(2-ethoxyethylamino)benzenesulfonamide
SMILESCCOCCNc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C10H16N2O3S/c1-2-15-8-7-12-9-3-5-10(6-4-9)16(11,13)14/h3-6,12H,2,7-8H2,1H3,(H2,11,13,14)
InChIKeyDWQCWCJZOATVBE-UHFFFAOYSA-N
XLogP0.78
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.78
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

4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 43591283
4-(2-ethoxyethylamino)-3-fluorobenzenesulfonamide
CID 60965986
3-amino-4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591103
4-[3-(2-hydroxyethoxy)propylamino]benzenesulfonamide
CID 106306869
4-(3-aminopentylamino)benzenesulfonamide
CID 113498131
4-[(2-ethoxy-2-methylpropyl)amino]benzenesulfonamide
CID 114943074
4-(difluoromethylsulfonyl)-N-(3-ethoxypropyl)aniline
CID 43455318
N-[2-(2-ethoxyethoxy)ethyl]-4-methylaniline
CID 23009145
4-(3-aminopropylamino)benzenesulfonamide
CID 43453740
N-(2-ethoxyethyl)-4-hydrazinylbenzenesulfonamide
CID 43591531
2-[2-(4-ethylsulfonylanilino)ethoxy]acetamide
CID 106239804
4-[3-(dimethylamino)propylamino]benzenesulfonamide
CID 23290121

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylamino)benzenesulfonamide?
The IUPAC name of 4-(2-ethoxyethylamino)benzenesulfonamide (CID 43591264) is 4-(2-ethoxyethylamino)benzenesulfonamide.
What is the SMILES notation for 4-(2-ethoxyethylamino)benzenesulfonamide?
The canonical SMILES for 4-(2-ethoxyethylamino)benzenesulfonamide is CCOCCNc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-(2-ethoxyethylamino)benzenesulfonamide?
The InChIKey is DWQCWCJZOATVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-2-15-8-7-12-9-3-5-10(6-4-9)16(11,13)14/h3-6,12H,2,7-8H2,1H3,(H2,11,13,14).
What are the key properties of 4-(2-ethoxyethylamino)benzenesulfonamide?
4-(2-ethoxyethylamino)benzenesulfonamide has a molecular weight of 244.32 g/mol, XLogP of 0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylamino)benzenesulfonamide is sourced from PubChem (CID 43591264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).