3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

C13H11N5O2S — CID 118257022

IUPAC3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H11N5O2S/c14-21(19,20)11-8-4-7-10(9-5-2-1-3-6-9)12(11)13-15-17-18-16-13/h1-8H,(H2,14,19,20)(H,15,16,17,18)
InChIKeyCIQMSJCCNJVMJZ-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.18
Rot. Bonds3

About 3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118257022) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118257022
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccccc2)c1-c1nn[nH]n1
InChIInChI=1S/C13H11N5O2S/c14-21(19,20)11-8-4-7-10(9-5-2-1-3-6-9)12(11)13-15-17-18-16-13/h1-8H,(H2,14,19,20)(H,15,16,17,18)
InChIKeyCIQMSJCCNJVMJZ-UHFFFAOYSA-N
XLogP1.18
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118257022) is 3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccccc2)c1-c1nn[nH]n1.
What is the InChIKey of 3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is CIQMSJCCNJVMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c14-21(19,20)11-8-4-7-10(9-5-2-1-3-6-9)12(11)13-15-17-18-16-13/h1-8H,(H2,14,19,20)(H,15,16,17,18).
What are the key properties of 3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 301.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118257022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).