2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride

C22H25Cl2N3O2S2 — CID 22711500

IUPAC2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2cc(Cl)ccc2c1)N1CCN(Cc2cc3c(s2)CCNC3)CC1
InChIInChI=1S/C22H24ClN3O2S2.ClH/c23-19-3-1-17-13-21(4-2-16(17)11-19)30(27,28)26-9-7-25(8-10-26)15-20-12-18-14-24-6-5-22(18)29-20;/h1-4,11-13,24H,5-10,14-15H2;1H
InChIKeyXXLHULZCLCKVFW-UHFFFAOYSA-N
MW498.50 g/mol
LogP4.13
Rot. Bonds4

About 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride

2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride (PubChem CID 22711500) has the molecular formula C22H25Cl2N3O2S2 and a molecular weight of 498.50 g/mol. Its IUPAC name is 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
PubChem CID22711500
Molecular FormulaC22H25Cl2N3O2S2
Molecular Weight498.50 g/mol
Exact Mass497.08
IUPAC Name2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2cc(Cl)ccc2c1)N1CCN(Cc2cc3c(s2)CCNC3)CC1
InChIInChI=1S/C22H24ClN3O2S2.ClH/c23-19-3-1-17-13-21(4-2-16(17)11-19)30(27,28)26-9-7-25(8-10-26)15-20-12-18-14-24-6-5-22(18)29-20;/h1-4,11-13,24H,5-10,14-15H2;1H
InChIKeyXXLHULZCLCKVFW-UHFFFAOYSA-N
XLogP4.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.50
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(E)-1-[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-3-(4,5,6,7-tetrahydrothieno[3,2-c]pyridin-2-yl)prop-2-en-1-one;hydrochloride
CID 22710726
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)methanone;hydrochloride
CID 11272253
[6-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine;hydrochloride
CID 22710197
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-(1-methyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)methanone
CID 22711006
1-[(3-chloro-4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 22208128
1-(4-chlorophenyl)sulfonyl-4-[(5-chlorothiophen-2-yl)methyl]piperazine
CID 9301421
3-[4-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]phenyl]-5-methyl-1,2,4-oxadiazole
CID 18382106
[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]methanone;hydrochloride
CID 22709763
4-(6-chloronaphthalen-2-yl)sulfonylpiperazine-1-carboxylic acid
CID 54489815
1-[(2,6-dichlorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1282318
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
5-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120902380

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The IUPAC name of 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride (CID 22711500) is 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride.
What is the SMILES notation for 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The canonical SMILES for 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride is Cl.O=S(=O)(c1ccc2cc(Cl)ccc2c1)N1CCN(Cc2cc3c(s2)CCNC3)CC1.
What is the InChIKey of 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
The InChIKey is XXLHULZCLCKVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2S2.ClH/c23-19-3-1-17-13-21(4-2-16(17)11-19)30(27,28)26-9-7-25(8-10-26)15-20-12-18-14-24-6-5-22(18)29-20;/h1-4,11-13,24H,5-10,14-15H2;1H.
What are the key properties of 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride?
2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride has a molecular weight of 498.50 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6-chloronaphthalen-2-yl)sulfonylpiperazin-1-yl]methyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine;hydrochloride is sourced from PubChem (CID 22711500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).