1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine

C18H19N5O2S — CID 91909499

IUPAC1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine
SMILESO=S(=O)(c1ccccc1)N1CCCC(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C18H19N5O2S/c24-26(25,17-11-5-2-6-12-17)22-13-7-8-15(14-22)18-19-20-21-23(18)16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2
InChIKeyAJACMLNHMKJYOQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.23
Rot. Bonds4

About 1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine

1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine (PubChem CID 91909499) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine
PubChem CID91909499
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine
SMILESO=S(=O)(c1ccccc1)N1CCCC(c2nnnn2-c2ccccc2)C1
InChIInChI=1S/C18H19N5O2S/c24-26(25,17-11-5-2-6-12-17)22-13-7-8-15(14-22)18-19-20-21-23(18)16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2
InChIKeyAJACMLNHMKJYOQ-UHFFFAOYSA-N
XLogP2.23
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine?
The IUPAC name of 1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine (CID 91909499) is 1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine?
The canonical SMILES for 1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine is O=S(=O)(c1ccccc1)N1CCCC(c2nnnn2-c2ccccc2)C1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine?
The InChIKey is AJACMLNHMKJYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c24-26(25,17-11-5-2-6-12-17)22-13-7-8-15(14-22)18-19-20-21-23(18)16-9-3-1-4-10-16/h1-6,9-12,15H,7-8,13-14H2.
What are the key properties of 1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine?
1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine has a molecular weight of 369.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(1-phenyltetrazol-5-yl)piperidine is sourced from PubChem (CID 91909499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).