N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide

C13H11N5O2S — CID 7708268

IUPACN-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccccc1
InChIInChI=1S/C13H11N5O2S/c19-21(20,13-7-2-1-3-8-13)15-11-5-4-6-12(9-11)18-10-14-16-17-18/h1-10,15H
InChIKeyFQVFFWLTCADUHV-UHFFFAOYSA-N
MW301.33 g/mol
LogP1.46
Rot. Bonds4

About N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide

N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 7708268) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID7708268
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC NameN-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccccc1
InChIInChI=1S/C13H11N5O2S/c19-21(20,13-7-2-1-3-8-13)15-11-5-4-6-12(9-11)18-10-14-16-17-18/h1-10,15H
InChIKeyFQVFFWLTCADUHV-UHFFFAOYSA-N
XLogP1.46
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 7708268) is N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccccc1.
What is the InChIKey of N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is FQVFFWLTCADUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c19-21(20,13-7-2-1-3-8-13)15-11-5-4-6-12(9-11)18-10-14-16-17-18/h1-10,15H.
What are the key properties of N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 301.33 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7708268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).