1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride

C18H22ClN3O2S — CID 120764101

IUPAC1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2c(c1)CCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C18H21N3O2S.ClH/c22-24(23,17-7-6-14-3-1-4-15(14)11-17)21-10-9-20-13-18(21)16-5-2-8-19-12-16;/h2,5-8,11-12,18,20H,1,3-4,9-10,13H2;1H
InChIKeyXAFHFVBBFAROMR-UHFFFAOYSA-N
MW379.91 g/mol
LogP2.33
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride

1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride (PubChem CID 120764101) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
PubChem CID120764101
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1ccc2c(c1)CCC2)N1CCNCC1c1cccnc1
InChIInChI=1S/C18H21N3O2S.ClH/c22-24(23,17-7-6-14-3-1-4-15(14)11-17)21-10-9-20-13-18(21)16-5-2-8-19-12-16;/h2,5-8,11-12,18,20H,1,3-4,9-10,13H2;1H
InChIKeyXAFHFVBBFAROMR-UHFFFAOYSA-N
XLogP2.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120764328
1-[4-(2-pyridin-3-ylpiperazin-1-yl)sulfonylphenyl]ethanone;hydrochloride
CID 120763835
2-fluoro-5-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzonitrile
CID 120764062
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 120763620
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882
1-(4-propan-2-ylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120764282

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride (CID 120764101) is 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride is Cl.O=S(=O)(c1ccc2c(c1)CCC2)N1CCNCC1c1cccnc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
The InChIKey is XAFHFVBBFAROMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S.ClH/c22-24(23,17-7-6-14-3-1-4-15(14)11-17)21-10-9-20-13-18(21)16-5-2-8-19-12-16;/h2,5-8,11-12,18,20H,1,3-4,9-10,13H2;1H.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride?
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride has a molecular weight of 379.91 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride is sourced from PubChem (CID 120764101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).