[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride

C26H31Cl2N3O2S — CID 22710197

IUPAC[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCc2cc(CN3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)ccc2C1
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;/h2,4-8,14-16,19H,1,3,9-13,17-18,28H2;1H
InChIKeyURSMYNDELQSCCI-UHFFFAOYSA-N
MW520.53 g/mol
LogP4.49
Rot. Bonds5

About [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride

[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride (PubChem CID 22710197) 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]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride
PubChem CID22710197
Molecular FormulaC26H31Cl2N3O2S
Molecular Weight520.53 g/mol
Exact Mass519.15
IUPAC Name[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride
SMILESCl.NCC1CCc2cc(CN3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)ccc2C1
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;/h2,4-8,14-16,19H,1,3,9-13,17-18,28H2;1H
InChIKeyURSMYNDELQSCCI-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

1-[(3-chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]methanamine
CID 28706848
2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
CID 22711500
tert-butyl N-[[6-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]-5,6,7,8-tetrahydronaphthalen-2-yl]methyl]carbamate
CID 22710865
3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 18382106
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
N-[[(2S)-6-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carbonyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxy]formamide
CID 87955279
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-4-(pyridin-4-ylmethyl)piperazine
CID 29352357
1-[(3-methylphenyl)methyl]-4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine
CID 113073961
1-[(2-chlorophenyl)methyl]-4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazine
CID 157156658
1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 22208104
1-[(3-chlorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 17378936

Frequently Asked Questions

What is the IUPAC name of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride?
The IUPAC name of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride (CID 22710197) is [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride.
What is the SMILES notation for [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride?
The canonical SMILES for [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride is Cl.NCC1CCc2cc(CN3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)ccc2C1.
What is the InChIKey of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride?
The InChIKey is URSMYNDELQSCCI-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;/h2,4-8,14-16,19H,1,3,9-13,17-18,28H2;1H.
What are the key properties of [6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride?
[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-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]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride is sourced from PubChem (CID 22710197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).