1-amino-4-sulfamoylsulfonylnaphthalene

C10H10N2O4S2 — CID 66717013

IUPAC1-amino-4-sulfamoylsulfonylnaphthalene
SMILESNc1ccc(S(=O)(=O)S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C10H10N2O4S2/c11-9-5-6-10(17(13,14)18(12,15)16)8-4-2-1-3-7(8)9/h1-6H,11H2,(H2,12,15,16)
InChIKeyXYBBWBOTWJBHPD-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.40
Rot. Bonds2

About 1-amino-4-sulfamoylsulfonylnaphthalene

1-amino-4-sulfamoylsulfonylnaphthalene (PubChem CID 66717013) has the molecular formula C10H10N2O4S2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-amino-4-sulfamoylsulfonylnaphthalene.

Molecular Properties

Compound Name1-amino-4-sulfamoylsulfonylnaphthalene
PubChem CID66717013
Molecular FormulaC10H10N2O4S2
Molecular Weight286.33 g/mol
Exact Mass286.01
IUPAC Name1-amino-4-sulfamoylsulfonylnaphthalene
SMILESNc1ccc(S(=O)(=O)S(N)(=O)=O)c2ccccc12
InChIInChI=1S/C10H10N2O4S2/c11-9-5-6-10(17(13,14)18(12,15)16)8-4-2-1-3-7(8)9/h1-6H,11H2,(H2,12,15,16)
InChIKeyXYBBWBOTWJBHPD-UHFFFAOYSA-N
XLogP0.40
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-4-sulfamoylsulfonylnaphthalene?
The IUPAC name of 1-amino-4-sulfamoylsulfonylnaphthalene (CID 66717013) is 1-amino-4-sulfamoylsulfonylnaphthalene.
What is the SMILES notation for 1-amino-4-sulfamoylsulfonylnaphthalene?
The canonical SMILES for 1-amino-4-sulfamoylsulfonylnaphthalene is Nc1ccc(S(=O)(=O)S(N)(=O)=O)c2ccccc12.
What is the InChIKey of 1-amino-4-sulfamoylsulfonylnaphthalene?
The InChIKey is XYBBWBOTWJBHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O4S2/c11-9-5-6-10(17(13,14)18(12,15)16)8-4-2-1-3-7(8)9/h1-6H,11H2,(H2,12,15,16).
What are the key properties of 1-amino-4-sulfamoylsulfonylnaphthalene?
1-amino-4-sulfamoylsulfonylnaphthalene has a molecular weight of 286.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-sulfamoylsulfonylnaphthalene is sourced from PubChem (CID 66717013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).