1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine

C19H21ClN6O2S — CID 55600924

IUPAC1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine
SMILESO=S(=O)(CCN1CCN(c2nnnn2-c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN6O2S/c20-16-6-8-18(9-7-16)29(27,28)15-14-24-10-12-25(13-11-24)19-21-22-23-26(19)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyLRRNOFKTVSUZTG-UHFFFAOYSA-N
MW432.94 g/mol
LogP1.91
Rot. Bonds6

About 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine

1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 55600924) has the molecular formula C19H21ClN6O2S and a molecular weight of 432.94 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID55600924
Molecular FormulaC19H21ClN6O2S
Molecular Weight432.94 g/mol
Exact Mass432.11
IUPAC Name1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine
SMILESO=S(=O)(CCN1CCN(c2nnnn2-c2ccccc2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN6O2S/c20-16-6-8-18(9-7-16)29(27,28)15-14-24-10-12-25(13-11-24)19-21-22-23-26(19)17-4-2-1-3-5-17/h1-9H,10-15H2
InChIKeyLRRNOFKTVSUZTG-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.94
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 2084594
2-[4-(1-phenyltetrazol-5-yl)-1,4-diazepan-1-yl]ethanol
CID 63309679
1-[1-(4-chlorophenyl)ethyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 133271987
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-phenoxyethyl)piperazine
CID 39746922
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine
CID 36839234
N-(4-methylsulfonylphenyl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]acetamide
CID 55601214
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanethioamide
CID 63337234
(2R)-1-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propan-2-ol
CID 133499657
N-(methylcarbamoyl)-3-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanamide
CID 55628304
1-(4-methylsulfonylpiperazin-1-yl)-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethanone
CID 55601179
[2-[(4-chlorophenyl)methoxy]phenyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 46439133

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine (CID 55600924) is 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine is O=S(=O)(CCN1CCN(c2nnnn2-c2ccccc2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is LRRNOFKTVSUZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O2S/c20-16-6-8-18(9-7-16)29(27,28)15-14-24-10-12-25(13-11-24)19-21-22-23-26(19)17-4-2-1-3-5-17/h1-9H,10-15H2.
What are the key properties of 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine?
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 432.94 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)sulfonylethyl]-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 55600924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).