2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide

C12H21N3O3S — CID 112675117

IUPAC2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide
SMILESCCN(CC)CCOc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C12H21N3O3S/c1-3-15(4-2)8-9-18-10-6-5-7-11(12(10)13)19(14,16)17/h5-7H,3-4,8-9,13H2,1-2H3,(H2,14,16,17)
InChIKeyZUWBPWPRWHZTMV-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.64
Rot. Bonds7

About 2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide

2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide (PubChem CID 112675117) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide
PubChem CID112675117
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide
SMILESCCN(CC)CCOc1cccc(S(N)(=O)=O)c1N
InChIInChI=1S/C12H21N3O3S/c1-3-15(4-2)8-9-18-10-6-5-7-11(12(10)13)19(14,16)17/h5-7H,3-4,8-9,13H2,1-2H3,(H2,14,16,17)
InChIKeyZUWBPWPRWHZTMV-UHFFFAOYSA-N
XLogP0.64
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-[2-(diethylamino)ethoxy]-2-fluorobenzenesulfonamide
CID 82919302
2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine;iodoethane
CID 22114543
1-amino-2,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594651
2-[2-(aminomethyl)phenoxy]-N,N-diethylethanamine
CID 16787209
2-amino-3-(4-methylpentan-2-yloxy)benzenesulfonamide
CID 112675093
2-[3-(2-methoxyethoxy)propoxy]-6-methylsulfonylaniline
CID 103401034
2-[2-(aminomethyl)-3-chlorophenoxy]-N,N-diethylethanamine
CID 62501610
1,5-bis[2-(diethylamino)ethoxy]-4-propoxyfluoren-9-one
CID 19594796
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090
N,N-diethyl-2-(3-methoxy-2-nitrophenoxy)ethanamine
CID 142721434
2-methylsulfonyl-6-(3,3,3-trifluoropropoxy)aniline
CID 82954574
[2-[2-(diethylamino)ethoxy]phenyl]boronic acid
CID 43145279

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide?
The IUPAC name of 2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide (CID 112675117) is 2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide.
What is the SMILES notation for 2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide?
The canonical SMILES for 2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide is CCN(CC)CCOc1cccc(S(N)(=O)=O)c1N.
What is the InChIKey of 2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide?
The InChIKey is ZUWBPWPRWHZTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-3-15(4-2)8-9-18-10-6-5-7-11(12(10)13)19(14,16)17/h5-7H,3-4,8-9,13H2,1-2H3,(H2,14,16,17).
What are the key properties of 2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide?
2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide has a molecular weight of 287.38 g/mol, XLogP of 0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(diethylamino)ethoxy]benzenesulfonamide is sourced from PubChem (CID 112675117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).