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

C15H18ClF3N4O2S — CID 120722212

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H17F3N4O2S.ClH/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;1H
InChIKeyVZAHNBNFCFSBBG-UHFFFAOYSA-N
MW410.85 g/mol
LogP2.81
Rot. Bonds4

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

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride (PubChem CID 120722212) has the molecular formula C15H18ClF3N4O2S and a molecular weight of 410.85 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
PubChem CID120722212
Molecular FormulaC15H18ClF3N4O2S
Molecular Weight410.85 g/mol
Exact Mass410.08
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)c1cnn(CC(F)(F)F)c1
InChIInChI=1S/C15H17F3N4O2S.ClH/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;1H
InChIKeyVZAHNBNFCFSBBG-UHFFFAOYSA-N
XLogP2.81
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.85
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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;hydrochloride?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride (CID 120722212) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride is Cl.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;hydrochloride?
The InChIKey is VZAHNBNFCFSBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O2S.ClH/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;1H.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride has a molecular weight of 410.85 g/mol, XLogP of 2.81, 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;hydrochloride is sourced from PubChem (CID 120722212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).