N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide

C17H17F3N2O2S — CID 120721935

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc2c(c1)CCCC2NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)12-4-2-5-14(10-12)25(23,24)22-16-6-1-3-11-9-13(21)7-8-15(11)16/h2,4-5,7-10,16,22H,1,3,6,21H2
InChIKeyYTFNOTRYBFICQB-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.64
Rot. Bonds3

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 120721935) has the molecular formula C17H17F3N2O2S and a molecular weight of 370.40 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID120721935
Molecular FormulaC17H17F3N2O2S
Molecular Weight370.40 g/mol
Exact Mass370.10
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc2c(c1)CCCC2NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N2O2S/c18-17(19,20)12-4-2-5-14(10-12)25(23,24)22-16-6-1-3-11-9-13(21)7-8-15(11)16/h2,4-5,7-10,16,22H,1,3,6,21H2
InChIKeyYTFNOTRYBFICQB-UHFFFAOYSA-N
XLogP3.64
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-methylbenzenesulfonamide
CID 79723505
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 120722213
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
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 120722140
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120722212
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)-3-methyl-4-nitrobenzenesulfonamide
CID 120721988
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 120722372
N-[5-[(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)sulfamoyl]-2-methylphenyl]acetamide
CID 120722247

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 120721935) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide is Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is YTFNOTRYBFICQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O2S/c18-17(19,20)12-4-2-5-14(10-12)25(23,24)22-16-6-1-3-11-9-13(21)7-8-15(11)16/h2,4-5,7-10,16,22H,1,3,6,21H2.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 370.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120721935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).