2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium

C12H16N3O2S+ — CID 163620983

IUPAC2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium
SMILESNS(=O)(=O)c1cccc2c(NCC[NH3+])cccc12
InChIInChI=1S/C12H15N3O2S/c13-7-8-15-11-5-1-4-10-9(11)3-2-6-12(10)18(14,16)17/h1-6,15H,7-8,13H2,(H2,14,16,17)/p+1
InChIKeyHOBQNBLURJYHRA-UHFFFAOYSA-O
MW266.35 g/mol
LogP0.14
Rot. Bonds4

About 2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium

2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium (PubChem CID 163620983) has the molecular formula C12H16N3O2S+ and a molecular weight of 266.35 g/mol. Its IUPAC name is 2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium.

Molecular Properties

Compound Name2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium
PubChem CID163620983
Molecular FormulaC12H16N3O2S+
Molecular Weight266.35 g/mol
Exact Mass266.10
IUPAC Name2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium
SMILESNS(=O)(=O)c1cccc2c(NCC[NH3+])cccc12
InChIInChI=1S/C12H15N3O2S/c13-7-8-15-11-5-1-4-10-9(11)3-2-6-12(10)18(14,16)17/h1-6,15H,7-8,13H2,(H2,14,16,17)/p+1
InChIKeyHOBQNBLURJYHRA-UHFFFAOYSA-O
XLogP0.14
TPSA99.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium?
The IUPAC name of 2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium (CID 163620983) is 2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium.
What is the SMILES notation for 2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium?
The canonical SMILES for 2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium is NS(=O)(=O)c1cccc2c(NCC[NH3+])cccc12.
What is the InChIKey of 2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium?
The InChIKey is HOBQNBLURJYHRA-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15N3O2S/c13-7-8-15-11-5-1-4-10-9(11)3-2-6-12(10)18(14,16)17/h1-6,15H,7-8,13H2,(H2,14,16,17)/p+1.
What are the key properties of 2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium?
2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium has a molecular weight of 266.35 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-sulfamoylnaphthalen-1-yl)amino]ethylazanium is sourced from PubChem (CID 163620983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).