N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

C21H26ClF3N2O2S — CID 131732535

IUPACN-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
SMILESCCCN[C@H]1CCc2cc(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)ccc2C1.Cl
InChIInChI=1S/C21H25F3N2O2S.ClH/c1-2-11-25-18-7-5-17-13-19(8-6-16(17)12-18)26-29(27,28)20-9-3-15(4-10-20)14-21(22,23)24;/h3-4,6,8-10,13,18,25-26H,2,5,7,11-12,14H2,1H3;1H/t18-;/m0./s1
InChIKeyOIJIDHNNQJVIBZ-FERBBOLQSA-N
MW462.97 g/mol
LogP4.87
Rot. Bonds7

About N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride

N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (PubChem CID 131732535) has the molecular formula C21H26ClF3N2O2S and a molecular weight of 462.97 g/mol. Its IUPAC name is N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
PubChem CID131732535
Molecular FormulaC21H26ClF3N2O2S
Molecular Weight462.97 g/mol
Exact Mass462.14
IUPAC NameN-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
SMILESCCCN[C@H]1CCc2cc(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)ccc2C1.Cl
InChIInChI=1S/C21H25F3N2O2S.ClH/c1-2-11-25-18-7-5-17-13-19(8-6-16(17)12-18)26-29(27,28)20-9-3-15(4-10-20)14-21(22,23)24;/h3-4,6,8-10,13,18,25-26H,2,5,7,11-12,14H2,1H3;1H/t18-;/m0./s1
InChIKeyOIJIDHNNQJVIBZ-FERBBOLQSA-N
XLogP4.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.97
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride 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

4-(1,1-difluoropropan-2-yl)-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68913990
4-[(2S)-1-fluoropropan-2-yl]-N-[6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 68912520
4-propan-2-yl-N-[(6R)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]benzenesulfonamide
CID 11596180
N-[6-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(trifluoromethoxy)benzenesulfonamide
CID 68916780
N-[6-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 68914747
(1S)-6-fluoro-6-propan-2-yl-N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]cyclohexa-2,4-diene-1-sulfonamide;hydrochloride
CID 158895824
[6-[(4-chlorophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamic acid
CID 129111795
tert-butyl N-[(2R)-6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68918954
tert-butyl N-[6-[[4-(3-fluoropropyl)phenyl]sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-N-propylcarbamate
CID 68918960
N-[3-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]pyrazol-1-yl]benzenesulfonamide
CID 140667755
[(2R)-6-[(4-bromophenyl)sulfonylamino]-1,2,3,4-tetrahydronaphthalen-2-yl]-propylcarbamic acid
CID 142689469
4-tert-butyl-N-(3-propyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide;hydrochloride
CID 67228465

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride (CID 131732535) is N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is CCCN[C@H]1CCc2cc(NS(=O)(=O)c3ccc(CC(F)(F)F)cc3)ccc2C1.Cl.
What is the InChIKey of N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
The InChIKey is OIJIDHNNQJVIBZ-FERBBOLQSA-N. The full InChI is InChI=1S/C21H25F3N2O2S.ClH/c1-2-11-25-18-7-5-17-13-19(8-6-16(17)12-18)26-29(27,28)20-9-3-15(4-10-20)14-21(22,23)24;/h3-4,6,8-10,13,18,25-26H,2,5,7,11-12,14H2,1H3;1H/t18-;/m0./s1.
What are the key properties of N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride?
N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride has a molecular weight of 462.97 g/mol, XLogP of 4.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-(propylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 131732535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).