1-amino-2-[2-(sulfamoylamino)ethoxy]benzene

C8H13N3O3S — CID 114958698

IUPAC1-amino-2-[2-(sulfamoylamino)ethoxy]benzene
SMILESNc1ccccc1OCCNS(N)(=O)=O
InChIInChI=1S/C8H13N3O3S/c9-7-3-1-2-4-8(7)14-6-5-11-15(10,12)13/h1-4,11H,5-6,9H2,(H2,10,12,13)
InChIKeyAPAKZGGEPOXSCZ-UHFFFAOYSA-N
MW231.28 g/mol
LogP-0.56
Rot. Bonds5

About 1-amino-2-[2-(sulfamoylamino)ethoxy]benzene

1-amino-2-[2-(sulfamoylamino)ethoxy]benzene (PubChem CID 114958698) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-amino-2-[2-(sulfamoylamino)ethoxy]benzene.

Molecular Properties

Compound Name1-amino-2-[2-(sulfamoylamino)ethoxy]benzene
PubChem CID114958698
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name1-amino-2-[2-(sulfamoylamino)ethoxy]benzene
SMILESNc1ccccc1OCCNS(N)(=O)=O
InChIInChI=1S/C8H13N3O3S/c9-7-3-1-2-4-8(7)14-6-5-11-15(10,12)13/h1-4,11H,5-6,9H2,(H2,10,12,13)
InChIKeyAPAKZGGEPOXSCZ-UHFFFAOYSA-N
XLogP-0.56
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-[2-(dimethylsulfamoylamino)ethoxy]benzene
CID 39360375
N-[2-(2-aminophenoxy)ethyl]-1-methylsulfonylmethanesulfonamide
CID 82840011
N-[2-(2-aminophenoxy)ethyl]-2-methoxyethanesulfonamide
CID 55009592
methyl 2-[2-(2-aminophenoxy)ethylsulfamoyl]propanoate
CID 61458712
N-[2-(2-aminophenoxy)ethyl]-1H-pyrazole-4-sulfonamide
CID 54915290
2-(2-aminophenoxy)ethylcarbamic acid
CID 70087941
2-(2-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324601
4-(2-aminophenoxy)butane-1-sulfonic acid
CID 18954137
2-[2-[2-[2-(2-aminophenoxy)ethoxy]ethoxy]ethoxy]aniline
CID 666143
2-[2-(pentan-2-ylamino)ethoxy]aniline
CID 107886628
2-[3-[3-(2-aminophenoxy)propoxy]propoxy]aniline
CID 102305462
2-[2-(2,5-dimethylphenyl)sulfonylethoxy]aniline
CID 43444250

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(sulfamoylamino)ethoxy]benzene?
The IUPAC name of 1-amino-2-[2-(sulfamoylamino)ethoxy]benzene (CID 114958698) is 1-amino-2-[2-(sulfamoylamino)ethoxy]benzene.
What is the SMILES notation for 1-amino-2-[2-(sulfamoylamino)ethoxy]benzene?
The canonical SMILES for 1-amino-2-[2-(sulfamoylamino)ethoxy]benzene is Nc1ccccc1OCCNS(N)(=O)=O.
What is the InChIKey of 1-amino-2-[2-(sulfamoylamino)ethoxy]benzene?
The InChIKey is APAKZGGEPOXSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c9-7-3-1-2-4-8(7)14-6-5-11-15(10,12)13/h1-4,11H,5-6,9H2,(H2,10,12,13).
What are the key properties of 1-amino-2-[2-(sulfamoylamino)ethoxy]benzene?
1-amino-2-[2-(sulfamoylamino)ethoxy]benzene has a molecular weight of 231.28 g/mol, XLogP of -0.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(sulfamoylamino)ethoxy]benzene is sourced from PubChem (CID 114958698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).