1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine

C19H21ClN6O3S — CID 30858578

IUPAC1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
SMILESCOc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H21ClN6O3S/c1-29-17-6-4-16(5-7-17)26-19(21-22-23-26)14-24-10-12-25(13-11-24)30(27,28)18-8-2-15(20)3-9-18/h2-9H,10-14H2,1H3
InChIKeyVDRVPEMTKGGORA-UHFFFAOYSA-N
MW448.94 g/mol
LogP1.83
Rot. Bonds6

About 1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine

1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 30858578) has the molecular formula C19H21ClN6O3S and a molecular weight of 448.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
PubChem CID30858578
Molecular FormulaC19H21ClN6O3S
Molecular Weight448.94 g/mol
Exact Mass448.11
IUPAC Name1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
SMILESCOc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C19H21ClN6O3S/c1-29-17-6-4-16(5-7-17)26-19(21-22-23-26)14-24-10-12-25(13-11-24)30(27,28)18-8-2-15(20)3-9-18/h2-9H,10-14H2,1H3
InChIKeyVDRVPEMTKGGORA-UHFFFAOYSA-N
XLogP1.83
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.94
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'tetrazole_A(1)', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858585
1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine
CID 29339841
4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]-N-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 29340252
(Z)-1-[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 30936964
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)imidazo[4,5-b]pyridine
CID 46389083
1-(4-chlorophenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1160819
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
CID 55989352
[4-[[1-(4-chlorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 30936586
1-(4-fluorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-1,4-diazepane
CID 55988188
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463647
1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-pyridin-3-ylsulfonylpiperazine
CID 29340040
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 29340042

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine (CID 30858578) is 1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine is COc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is VDRVPEMTKGGORA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O3S/c1-29-17-6-4-16(5-7-17)26-19(21-22-23-26)14-24-10-12-25(13-11-24)30(27,28)18-8-2-15(20)3-9-18/h2-9H,10-14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine?
1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 448.94 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 30858578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).