N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride

C17H20ClFN2O2S — CID 120722112

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S.ClH/c18-14-6-4-12(5-7-14)11-23(21,22)20-17-3-1-2-13-10-15(19)8-9-16(13)17;/h4-10,17,20H,1-3,11,19H2;1H
InChIKeyWTIMUPPFELHRMC-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.33
Rot. Bonds4

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride (PubChem CID 120722112) has the molecular formula C17H20ClFN2O2S and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
PubChem CID120722112
Molecular FormulaC17H20ClFN2O2S
Molecular Weight370.88 g/mol
Exact Mass370.09
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride
SMILESCl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S.ClH/c18-14-6-4-12(5-7-14)11-23(21,22)20-17-3-1-2-13-10-15(19)8-9-16(13)17;/h4-10,17,20H,1-3,11,19H2;1H
InChIKeyWTIMUPPFELHRMC-UHFFFAOYSA-N
XLogP3.33
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.33
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)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride (CID 120722112) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride is Cl.Nc1ccc2c(c1)CCCC2NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
The InChIKey is WTIMUPPFELHRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S.ClH/c18-14-6-4-12(5-7-14)11-23(21,22)20-17-3-1-2-13-10-15(19)8-9-16(13)17;/h4-10,17,20H,1-3,11,19H2;1H.
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride has a molecular weight of 370.88 g/mol, XLogP of 3.33, 4 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)-1-(4-fluorophenyl)methanesulfonamide;hydrochloride is sourced from PubChem (CID 120722112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).