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

C18H19ClN6O2S — CID 30858508

IUPAC1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H19ClN6O2S/c19-16-8-4-5-9-17(16)28(26,27)24-12-10-23(11-13-24)14-18-20-21-22-25(18)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyMAQRKTVHSIQAPS-UHFFFAOYSA-N
MW418.91 g/mol
LogP1.82
Rot. Bonds5

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

1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine (PubChem CID 30858508) has the molecular formula C18H19ClN6O2S and a molecular weight of 418.91 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
PubChem CID30858508
Molecular FormulaC18H19ClN6O2S
Molecular Weight418.91 g/mol
Exact Mass418.10
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H19ClN6O2S/c19-16-8-4-5-9-17(16)28(26,27)24-12-10-23(11-13-24)14-18-20-21-22-25(18)15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyMAQRKTVHSIQAPS-UHFFFAOYSA-N
XLogP1.82
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.91
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339732
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
CID 55989352
1-[(1-phenyltetrazol-5-yl)methyl]azepane
CID 47010715
1-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 30858560
1-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 29339937
1-(2,4-dimethylphenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine
CID 29339887
1-(2,5-difluorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339724
1-(azepan-1-yl)-2-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 30738891
1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858578
N,N-dimethyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine-1-carboxamide
CID 37206138
(4-morpholin-4-ylsulfonylphenyl)-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]methanone
CID 30936355
1-(2,5-dimethylphenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858585

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine (CID 30858508) is 1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine is O=S(=O)(c1ccccc1Cl)N1CCN(Cc2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine?
The InChIKey is MAQRKTVHSIQAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2S/c19-16-8-4-5-9-17(16)28(26,27)24-12-10-23(11-13-24)14-18-20-21-22-25(18)15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine?
1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine has a molecular weight of 418.91 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 30858508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).