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

C18H18ClFN6O2S — CID 29339732

IUPAC1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18ClFN6O2S/c19-16-3-1-2-4-17(16)29(27,28)25-11-9-24(10-12-25)13-18-21-22-23-26(18)15-7-5-14(20)6-8-15/h1-8H,9-13H2
InChIKeyVLNCJHFDXDDVAG-UHFFFAOYSA-N
MW436.90 g/mol
LogP1.96
Rot. Bonds5

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

1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 29339732) has the molecular formula C18H18ClFN6O2S and a molecular weight of 436.90 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
PubChem CID29339732
Molecular FormulaC18H18ClFN6O2S
Molecular Weight436.90 g/mol
Exact Mass436.09
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
SMILESO=S(=O)(c1ccccc1Cl)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1
InChIInChI=1S/C18H18ClFN6O2S/c19-16-3-1-2-4-17(16)29(27,28)25-11-9-24(10-12-25)13-18-21-22-23-26(18)15-7-5-14(20)6-8-15/h1-8H,9-13H2
InChIKeyVLNCJHFDXDDVAG-UHFFFAOYSA-N
XLogP1.96
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-chlorophenyl)sulfonyl-4-[(1-phenyltetrazol-5-yl)methyl]piperazine
CID 30858508
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazine
CID 55989352
1-(2,5-difluorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339724
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-(3,4-dimethylphenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine
CID 29339747
1-(4-fluorophenyl)sulfonyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]-1,4-diazepane
CID 55988188
(2-chloro-6-fluorophenyl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937119
1-[(2-chloro-4-fluorophenyl)methyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 38748587
1-(2,4-dimethylphenyl)sulfonyl-4-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]piperazine
CID 29339887
(2-bromophenyl)-[4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazin-1-yl]methanone
CID 30937102
1-(4-chlorophenyl)sulfonyl-4-[[1-(4-methoxyphenyl)tetrazol-5-yl]methyl]piperazine
CID 30858578

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine (CID 29339732) is 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine is O=S(=O)(c1ccccc1Cl)N1CCN(Cc2nnnn2-c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is VLNCJHFDXDDVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN6O2S/c19-16-3-1-2-4-17(16)29(27,28)25-11-9-24(10-12-25)13-18-21-22-23-26(18)15-7-5-14(20)6-8-15/h1-8H,9-13H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine?
1-(2-chlorophenyl)sulfonyl-4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 436.90 g/mol, XLogP of 1.96, 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-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 29339732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).