[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride

C26H31Cl2N3O2S — CID 22709518

IUPAC[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ccc2c(c1)CCC(CN1CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C26H30ClN3O2S.ClH/c27-25-7-5-24-16-26(8-6-23(24)15-25)33(31,32)30-11-9-29(10-12-30)18-20-2-4-21-13-19(17-28)1-3-22(21)14-20;/h1,3,5-8,13,15-16,20H,2,4,9-12,14,17-18,28H2;1H
InChIKeyOKAJARXIIFFODG-UHFFFAOYSA-N
MW520.53 g/mol
LogP4.49
Rot. Bonds5

About [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride

[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride (PubChem CID 22709518) has the molecular formula C26H31Cl2N3O2S and a molecular weight of 520.53 g/mol. Its IUPAC name is [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride
PubChem CID22709518
Molecular FormulaC26H31Cl2N3O2S
Molecular Weight520.53 g/mol
Exact Mass519.15
IUPAC Name[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride
SMILESCl.NCc1ccc2c(c1)CCC(CN1CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C26H30ClN3O2S.ClH/c27-25-7-5-24-16-26(8-6-23(24)15-25)33(31,32)30-11-9-29(10-12-30)18-20-2-4-21-13-19(17-28)1-3-22(21)14-20;/h1,3,5-8,13,15-16,20H,2,4,9-12,14,17-18,28H2;1H
InChIKeyOKAJARXIIFFODG-UHFFFAOYSA-N
XLogP4.49
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-((3-(4-(Aminomethyl)phenyl)propyl)amino)ethyl)-1-chloronaphthalene-2-sulfonamide
CID 10296435
N-[2-[4-[[(3-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)amino]methyl]piperidin-1-yl]ethyl]naphthalene-1-sulfonamide
CID 44377468
7-chloro-9-(4-methylphenyl)sulfonyl-10,11-dihydro-8H-naphtho[1,2-g]isoquinoline
CID 168353886
1-[(3-Chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
1-[(2-Chlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1340037
1-[(4-Chlorophenyl)sulfonyl]-4-(1-naphthylmethyl)piperazine
CID 4209546
1-[(4-Chlorophenyl)-phenylmethyl]-4-naphthalen-1-ylsulfonylpiperazine
CID 46705014
N-[2-[3-[4-(aminomethyl)phenyl]propyl-methylamino]ethyl]-1-chloronaphthalene-2-sulfonamide
CID 10114508
[6-(Aminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methanone;hydrochloride
CID 10186923
[6-(Aminomethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 10186924
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-2-sulfonamide
CID 10228596
N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]naphthalene-1-sulfonamide
CID 10278474

Frequently Asked Questions

What is the IUPAC name of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride?
The IUPAC name of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride (CID 22709518) is [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride?
The canonical SMILES for [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride is Cl.NCc1ccc2c(c1)CCC(CN1CCN(S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2.
What is the InChIKey of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride?
The InChIKey is OKAJARXIIFFODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2S.ClH/c27-25-7-5-24-16-26(8-6-23(24)15-25)33(31,32)30-11-9-29(10-12-30)18-20-2-4-21-13-19(17-28)1-3-22(21)14-20;/h1,3,5-8,13,15-16,20H,2,4,9-12,14,17-18,28H2;1H.
What are the key properties of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride?
[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride has a molecular weight of 520.53 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 22709518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).