N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C15H17F3N4O2S — CID 120722213

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESNc1ccc2c(c1)CCCC2NS(=O)(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H17F3N4O2S/c16-15(17,18)9-22-8-12(7-20-22)25(23,24)21-14-3-1-2-10-6-11(19)4-5-13(10)14/h4-8,14,21H,1-3,9,19H2
InChIKeyCNHKLWRPFZPOBB-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.38
Rot. Bonds4

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 120722213) has the molecular formula C15H17F3N4O2S and a molecular weight of 374.39 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID120722213
Molecular FormulaC15H17F3N4O2S
Molecular Weight374.39 g/mol
Exact Mass374.10
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESNc1ccc2c(c1)CCCC2NS(=O)(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H17F3N4O2S/c16-15(17,18)9-22-8-12(7-20-22)25(23,24)21-14-3-1-2-10-6-11(19)4-5-13(10)14/h4-8,14,21H,1-3,9,19H2
InChIKeyCNHKLWRPFZPOBB-UHFFFAOYSA-N
XLogP2.38
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide 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)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120722212
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 120721935
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)-1H-imidazole-5-sulfonamide
CID 116650187
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)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 120722372
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-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)-2,3-dichlorobenzenesulfonamide
CID 120721939

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 120722213) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cnn(CC(F)(F)F)c1.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is CNHKLWRPFZPOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S/c16-15(17,18)9-22-8-12(7-20-22)25(23,24)21-14-3-1-2-10-6-11(19)4-5-13(10)14/h4-8,14,21H,1-3,9,19H2.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 374.39 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 120722213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).