2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride

C16H18ClN7O2S — CID 120763566

IUPAC2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H17N7O2S.ClH/c24-26(25,15-5-1-4-14(9-15)22-12-19-20-21-22)23-8-7-18-11-16(23)13-3-2-6-17-10-13;/h1-6,9-10,12,16,18H,7-8,11H2;1H
InChIKeyIODJXVLKPIDNIK-UHFFFAOYSA-N
MW407.89 g/mol
LogP0.81
Rot. Bonds4

About 2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride

2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride (PubChem CID 120763566) has the molecular formula C16H18ClN7O2S and a molecular weight of 407.89 g/mol. Its IUPAC name is 2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride.

Molecular Properties

Compound Name2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride
PubChem CID120763566
Molecular FormulaC16H18ClN7O2S
Molecular Weight407.89 g/mol
Exact Mass407.09
IUPAC Name2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride
SMILESCl.O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H17N7O2S.ClH/c24-26(25,15-5-1-4-14(9-15)22-12-19-20-21-22)23-8-7-18-11-16(23)13-3-2-6-17-10-13;/h1-6,9-10,12,16,18H,7-8,11H2;1H
InChIKeyIODJXVLKPIDNIK-UHFFFAOYSA-N
XLogP0.81
TPSA105.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.89
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-(3-fluorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763589
3-(2-pyridin-3-ylpiperazin-1-yl)sulfonylbenzamide;hydrochloride
CID 120763620
1-(3-methylphenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763950
1-(3-chlorophenyl)sulfonyl-2-pyridin-3-ylpiperazine
CID 120763595
2-(1-methylimidazol-2-yl)-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride
CID 120895051
2-pyridin-3-yl-1-(3,4,5-trifluorophenyl)sulfonylpiperazine;hydrochloride
CID 120763965
1-(4-bromophenyl)sulfonyl-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764391
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2-pyridin-3-ylpiperazine;hydrochloride
CID 120764101
2-pyridin-3-yl-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazine;hydrochloride
CID 120763604
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
1-[(5-bromo-3-pyridinyl)sulfonyl]-2-pyridin-3-ylpiperazine
CID 120763882

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride?
The IUPAC name of 2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride (CID 120763566) is 2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride.
What is the SMILES notation for 2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride?
The canonical SMILES for 2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride is Cl.O=S(=O)(c1cccc(-n2cnnn2)c1)N1CCNCC1c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride?
The InChIKey is IODJXVLKPIDNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2S.ClH/c24-26(25,15-5-1-4-14(9-15)22-12-19-20-21-22)23-8-7-18-11-16(23)13-3-2-6-17-10-13;/h1-6,9-10,12,16,18H,7-8,11H2;1H.
What are the key properties of 2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride?
2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride has a molecular weight of 407.89 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-1-[3-(tetrazol-1-yl)phenyl]sulfonylpiperazine;hydrochloride is sourced from PubChem (CID 120763566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).