1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine

C21H24ClN5O2S — CID 1432366

IUPAC1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine
SMILESCc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C21H24ClN5O2S/c1-16-5-11-19(12-6-16)30(28,29)15-27-21(23-24-25-27)20(26-13-3-2-4-14-26)17-7-9-18(22)10-8-17/h5-12,20H,2-4,13-15H2,1H3/t20-/m0/s1
InChIKeyXLENKWQCWAZYCJ-FQEVSTJZSA-N
MW445.98 g/mol
LogP3.64
Rot. Bonds6

About 1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine

1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine (PubChem CID 1432366) has the molecular formula C21H24ClN5O2S and a molecular weight of 445.98 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine
PubChem CID1432366
Molecular FormulaC21H24ClN5O2S
Molecular Weight445.98 g/mol
Exact Mass445.13
IUPAC Name1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine
SMILESCc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1
InChIInChI=1S/C21H24ClN5O2S/c1-16-5-11-19(12-6-16)30(28,29)15-27-21(23-24-25-27)20(26-13-3-2-4-14-26)17-7-9-18(22)10-8-17/h5-12,20H,2-4,13-15H2,1H3/t20-/m0/s1
InChIKeyXLENKWQCWAZYCJ-FQEVSTJZSA-N
XLogP3.64
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.98
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine 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-[(R)-(4-methylphenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidin-1-ium
CID 7140649
1-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]-pyridin-3-ylmethyl]-4-phenylpiperazine
CID 3768240
2-[[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]-[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
CID 3229157
4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholine
CID 1431626
1-[(S)-(2,3-dimethoxyphenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448937
5-[(R)-(4-methylphenyl)-pyrrolidin-1-ylmethyl]-1-[[(2S)-oxolan-2-yl]methyl]tetrazole
CID 861323
1-[(1S)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
CID 1448828
4-[(1R)-2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]thiomorpholin-4-ium
CID 7140560
1-[(1S)-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]butyl]piperidine-4-carboxamide
CID 1448806
1-[(R)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448688
1-[(S)-(4-chlorophenyl)-[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-methylpiperazine
CID 1448690
1-(4-fluorophenyl)-4-[2-methyl-1-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]propyl]piperazine
CID 3210426

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine?
The IUPAC name of 1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine (CID 1432366) is 1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine.
What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine?
The canonical SMILES for 1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine is Cc1ccc(S(=O)(=O)Cn2nnnc2[C@H](c2ccc(Cl)cc2)N2CCCCC2)cc1.
What is the InChIKey of 1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine?
The InChIKey is XLENKWQCWAZYCJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H24ClN5O2S/c1-16-5-11-19(12-6-16)30(28,29)15-27-21(23-24-25-27)20(26-13-3-2-4-14-26)17-7-9-18(22)10-8-17/h5-12,20H,2-4,13-15H2,1H3/t20-/m0/s1.
What are the key properties of 1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine?
1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine has a molecular weight of 445.98 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-chlorophenyl)-[1-[(4-methylphenyl)sulfonylmethyl]tetrazol-5-yl]methyl]piperidine is sourced from PubChem (CID 1432366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).