4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide

C12H20N2O3S — CID 43591283

IUPAC4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCOCC)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-14-18(15,16)12-7-5-11(6-8-12)13-9-10-17-4-2/h5-8,13-14H,3-4,9-10H2,1-2H3
InChIKeyLDWYJWMLXXNXRP-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.43
Rot. Bonds8

About 4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide

4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide (PubChem CID 43591283) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
PubChem CID43591283
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Name4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCCOCC)cc1
InChIInChI=1S/C12H20N2O3S/c1-3-14-18(15,16)12-7-5-11(6-8-12)13-9-10-17-4-2/h5-8,13-14H,3-4,9-10H2,1-2H3
InChIKeyLDWYJWMLXXNXRP-UHFFFAOYSA-N
XLogP1.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.43
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

2-[2-[4-(ethylsulfamoyl)anilino]ethoxy]acetic acid
CID 79457379
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
N-(2-ethoxyethyl)-4-hydrazinylbenzenesulfonamide
CID 43591531
4-amino-3-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide
CID 82898095
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide
CID 114468845
4-[(3-amino-4-methoxybutyl)amino]-N-ethylbenzenesulfonamide
CID 106244328
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
N-(2-ethoxyethyl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62164881
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
4-[4-(ethylsulfamoyl)anilino]butanamide
CID 60864144

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide?
The IUPAC name of 4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide (CID 43591283) is 4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NCCOCC)cc1.
What is the InChIKey of 4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide?
The InChIKey is LDWYJWMLXXNXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-3-14-18(15,16)12-7-5-11(6-8-12)13-9-10-17-4-2/h5-8,13-14H,3-4,9-10H2,1-2H3.
What are the key properties of 4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide?
4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylamino)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 43591283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).