N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride

C22H28ClFN2O2S — CID 57467298

IUPACN-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride
SMILESCl.NC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C22H27FN2O2S.ClH/c23-18-4-1-3-15(11-18)12-21-20-13-16(7-8-17(20)9-10-22(21)24)14-25-28(26,27)19-5-2-6-19;/h1,3-4,7-8,11,13,19,21-22,25H,2,5-6,9-10,12,14,24H2;1H
InChIKeyOWKMVVSMXBLVKM-UHFFFAOYSA-N
MW439.00 g/mol
LogP3.82
Rot. Bonds6

About N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride

N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride (PubChem CID 57467298) has the molecular formula C22H28ClFN2O2S and a molecular weight of 439.00 g/mol. Its IUPAC name is N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride
PubChem CID57467298
Molecular FormulaC22H28ClFN2O2S
Molecular Weight439.00 g/mol
Exact Mass438.15
IUPAC NameN-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride
SMILESCl.NC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1
InChIInChI=1S/C22H27FN2O2S.ClH/c23-18-4-1-3-15(11-18)12-21-20-13-16(7-8-17(20)9-10-22(21)24)14-25-28(26,27)19-5-2-6-19;/h1,3-4,7-8,11,13,19,21-22,25H,2,5-6,9-10,12,14,24H2;1H
InChIKeyOWKMVVSMXBLVKM-UHFFFAOYSA-N
XLogP3.82
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.00
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[7-amino-8-[(3,4-dichlorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide
CID 141403649
N-[3-[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]propyl]-1-cyclopropyl-N-methylmethanesulfonamide;hydrochloride
CID 57471380
N-[[(8S)-7-amino-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide
CID 118987383
N-[2-[2-(azetidin-1-ylmethyl)-6-fluoro-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]ethyl]cyclobutanesulfonamide
CID 56655490
1-benzyl-7-(2-methylsulfonylethyl)-1,2,3,4-tetrahydronaphthalen-2-amine;hydrochloride
CID 159439876
N-[[8-benzyl-7-(cyclopropylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]propane-1-sulfonamide;hydrochloride
CID 66745253
2-[2-(azetidin-1-ylmethyl)-3-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-inden-5-yl]-1-cyclopropylethanesulfonamide
CID 123606345
3-fluoro-N-[(3-fluorophenyl)methyl]benzenesulfonamide
CID 25046873
ethyl N-[7-[2-(cyclopropylmethylsulfonylamino)ethoxy]-1-[(3-fluorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]carbamate
CID 68511283
N-[(3-methylphenyl)methyl]cyclopropanesulfonamide
CID 118928947
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
N-[[8-benzyl-7-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]-1-methylpyrrole-3-sulfonamide;hydrochloride
CID 57467304

Frequently Asked Questions

What is the IUPAC name of N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride?
The IUPAC name of N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride (CID 57467298) is N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride.
What is the SMILES notation for N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride?
The canonical SMILES for N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride is Cl.NC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1cccc(F)c1.
What is the InChIKey of N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride?
The InChIKey is OWKMVVSMXBLVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2S.ClH/c23-18-4-1-3-15(11-18)12-21-20-13-16(7-8-17(20)9-10-22(21)24)14-25-28(26,27)19-5-2-6-19;/h1,3-4,7-8,11,13,19,21-22,25H,2,5-6,9-10,12,14,24H2;1H.
What are the key properties of N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride?
N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride has a molecular weight of 439.00 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-amino-8-[(3-fluorophenyl)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]cyclobutanesulfonamide;hydrochloride is sourced from PubChem (CID 57467298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).