N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide

C13H16N4O2S — CID 116650187

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide
SMILESNc1ccc2c(c1)CCCC2NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C13H16N4O2S/c14-10-4-5-11-9(6-10)2-1-3-12(11)17-20(18,19)13-7-15-8-16-13/h4-8,12,17H,1-3,14H2,(H,15,16)
InChIKeyRECFZXDZLLCZQJ-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.35
Rot. Bonds3

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide (PubChem CID 116650187) has the molecular formula C13H16N4O2S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide
PubChem CID116650187
Molecular FormulaC13H16N4O2S
Molecular Weight292.36 g/mol
Exact Mass292.10
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide
SMILESNc1ccc2c(c1)CCCC2NS(=O)(=O)c1cnc[nH]1
InChIInChI=1S/C13H16N4O2S/c14-10-4-5-11-9(6-10)2-1-3-12(11)17-20(18,19)13-7-15-8-16-13/h4-8,12,17H,1-3,14H2,(H,15,16)
InChIKeyRECFZXDZLLCZQJ-UHFFFAOYSA-N
XLogP1.35
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-sulfonamide
CID 116650196
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-methylsulfonylbenzenesulfonamide;hydrochloride
CID 120722353
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4,6-trimethylbenzenesulfonamide
CID 120722170
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)cyclopentanesulfonamide
CID 105361458
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,4-dimethylbenzenesulfonamide;hydrochloride
CID 120722173
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
CID 120722112
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dichlorobenzenesulfonamide
CID 120721939
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dichlorothiophene-3-sulfonamide;hydrochloride
CID 120722180
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,5-dimethylbenzenesulfonamide
CID 120722095
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 120722372
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 120722427
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide;hydrochloride
CID 120722266

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide (CID 116650187) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide is Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cnc[nH]1.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
The InChIKey is RECFZXDZLLCZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2S/c14-10-4-5-11-9(6-10)2-1-3-12(11)17-20(18,19)13-7-15-8-16-13/h4-8,12,17H,1-3,14H2,(H,15,16).
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 116650187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).