1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine

C17H18N6O2S — CID 2416006

IUPAC1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C17H18N6O2S/c24-26(25,16-9-5-2-6-10-16)22-13-11-21(12-14-22)17-18-19-20-23(17)15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeyKBGIAMKHJCOONE-UHFFFAOYSA-N
MW370.44 g/mol
LogP1.17
Rot. Bonds4

About 1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine

1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 2416006) has the molecular formula C17H18N6O2S and a molecular weight of 370.44 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID2416006
Molecular FormulaC17H18N6O2S
Molecular Weight370.44 g/mol
Exact Mass370.12
IUPAC Name1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESO=S(=O)(c1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C17H18N6O2S/c24-26(25,16-9-5-2-6-10-16)22-13-11-21(12-14-22)17-18-19-20-23(17)15-7-3-1-4-8-15/h1-10H,11-14H2
InChIKeyKBGIAMKHJCOONE-UHFFFAOYSA-N
XLogP1.17
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine (CID 2416006) is 1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine is O=S(=O)(c1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is KBGIAMKHJCOONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2S/c24-26(25,16-9-5-2-6-10-16)22-13-11-21(12-14-22)17-18-19-20-23(17)15-7-3-1-4-8-15/h1-10H,11-14H2.
What are the key properties of 1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine?
1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 370.44 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 2416006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).