[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

C23H27N7O3S — CID 46600592

IUPAC[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H27N7O3S/c31-22(19-11-13-29(14-12-19)34(32,33)21-9-5-2-6-10-21)27-15-17-28(18-16-27)23-24-25-26-30(23)20-7-3-1-4-8-20/h1-10,19H,11-18H2
InChIKeyZWANHZKDNPUCBL-UHFFFAOYSA-N
MW481.58 g/mol
LogP1.41
Rot. Bonds5

About [1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone

[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (PubChem CID 46600592) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
PubChem CID46600592
Molecular FormulaC23H27N7O3S
Molecular Weight481.58 g/mol
Exact Mass481.19
IUPAC Name[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
SMILESO=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C23H27N7O3S/c31-22(19-11-13-29(14-12-19)34(32,33)21-9-5-2-6-10-21)27-15-17-28(18-16-27)23-24-25-26-30(23)20-7-3-1-4-8-20/h1-10,19H,11-18H2
InChIKeyZWANHZKDNPUCBL-UHFFFAOYSA-N
XLogP1.41
TPSA104.53 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55636487
1-(4-chlorophenyl)sulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 2084594
(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46602664
2-bicyclo[2.2.1]heptanyl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636310
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
ethyl 4-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]sulfonylbenzoate
CID 26451946
[2-(2-chlorophenyl)cyclopropyl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 55636451
[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 46600637
[4-(benzenesulfonyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 55712585
[1-(benzenesulfonyl)piperidin-4-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 27259305
1-methylsulfonyl-4-(1-phenyltetrazol-5-yl)piperazine
CID 27306331
morpholin-4-yl-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone
CID 17493615

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone (CID 46600592) is [1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is O=C(C1CCN(S(=O)(=O)c2ccccc2)CC1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
The InChIKey is ZWANHZKDNPUCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O3S/c31-22(19-11-13-29(14-12-19)34(32,33)21-9-5-2-6-10-21)27-15-17-28(18-16-27)23-24-25-26-30(23)20-7-3-1-4-8-20/h1-10,19H,11-18H2.
What are the key properties of [1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone?
[1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone has a molecular weight of 481.58 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-4-yl]-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 46600592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).