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

C19H21ClN6O4S2 — CID 55989352

IUPAC1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H21ClN6O4S2/c1-31(27,28)16-8-6-15(7-9-16)26-19(21-22-23-26)14-24-10-12-25(13-11-24)32(29,30)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3
InChIKeyMKFPOCRQJOBQHU-UHFFFAOYSA-N
MW497.00 g/mol
LogP1.23
Rot. Bonds6

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

1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 55989352) has the molecular formula C19H21ClN6O4S2 and a molecular weight of 497.00 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
PubChem CID55989352
Molecular FormulaC19H21ClN6O4S2
Molecular Weight497.00 g/mol
Exact Mass496.08
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
SMILESCS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1
InChIInChI=1S/C19H21ClN6O4S2/c1-31(27,28)16-8-6-15(7-9-16)26-19(21-22-23-26)14-24-10-12-25(13-11-24)32(29,30)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3
InChIKeyMKFPOCRQJOBQHU-UHFFFAOYSA-N
XLogP1.23
TPSA118.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.00
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 30858508
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339732
1-(4-fluorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-1,4-diazepane
CID 55988188
2-methyl-1-[4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]-2-phenylpropan-1-one
CID 55988977
1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858578
1-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-(2-fluorophenyl)sulfonylpiperazine
CID 30858560
1-(2,4-dimethylphenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine
CID 29339887
1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine
CID 29339841
4-methyl-1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]azepane
CID 56800075
1-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 29339937
1-(5-bromo-2-pyridinyl)-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
CID 55988851
1-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994239

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine (CID 55989352) is 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine is CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is MKFPOCRQJOBQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O4S2/c1-31(27,28)16-8-6-15(7-9-16)26-19(21-22-23-26)14-24-10-12-25(13-11-24)32(29,30)18-5-3-2-4-17(18)20/h2-9H,10-14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine?
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 497.00 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 55989352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).