1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine

C19H21BrN6O2S — CID 29339841

IUPAC1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine
SMILESCc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C19H21BrN6O2S/c1-15-2-6-17(7-3-15)26-19(21-22-23-26)14-24-10-12-25(13-11-24)29(27,28)18-8-4-16(20)5-9-18/h2-9H,10-14H2,1H3
InChIKeyQRGDPASRUYAFJX-UHFFFAOYSA-N
MW477.39 g/mol
LogP2.24
Rot. Bonds5

About 1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine

1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 29339841) has the molecular formula C19H21BrN6O2S and a molecular weight of 477.39 g/mol. Its IUPAC name is 1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine
PubChem CID29339841
Molecular FormulaC19H21BrN6O2S
Molecular Weight477.39 g/mol
Exact Mass476.06
IUPAC Name1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine
SMILESCc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1
InChIInChI=1S/C19H21BrN6O2S/c1-15-2-6-17(7-3-15)26-19(21-22-23-26)14-24-10-12-25(13-11-24)29(27,28)18-8-4-16(20)5-9-18/h2-9H,10-14H2,1H3
InChIKeyQRGDPASRUYAFJX-UHFFFAOYSA-N
XLogP2.24
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,4-dimethylphenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine
CID 29339887
1-(3,4-dimethylphenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339747
1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858578
1-(4-fluorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-1,4-diazepane
CID 55988188
1-(5-bromo-2-pyridinyl)-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
CID 55988851
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
CID 55989352
1-(2,5-dimethylphenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858585
7-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)triazolo[4,5-d]pyrimidine
CID 41245589
N,N-diethyl-4-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 30937931
1-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 29340036
(Z)-1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]but-2-en-1-one
CID 30858109
1-[4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]but-2-en-1-one
CID 71961401

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine (CID 29339841) is 1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine is Cc1ccc(-n2nnnc2CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1.
What is the InChIKey of 1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is QRGDPASRUYAFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN6O2S/c1-15-2-6-17(7-3-15)26-19(21-22-23-26)14-24-10-12-25(13-11-24)29(27,28)18-8-4-16(20)5-9-18/h2-9H,10-14H2,1H3.
What are the key properties of 1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine?
1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 477.39 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 29339841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).