4-(5-phenyltetrazol-1-yl)benzenesulfonamide

C13H11N5O2S — CID 57395676

IUPAC4-(5-phenyltetrazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C13H11N5O2S/c14-21(19,20)12-8-6-11(7-9-12)18-13(15-16-17-18)10-4-2-1-3-5-10/h1-9H,(H2,14,19,20)
InChIKeyJVHTWWFLERCBKF-UHFFFAOYSA-N
MW301.33 g/mol
LogP0.98
Rot. Bonds3

About 4-(5-phenyltetrazol-1-yl)benzenesulfonamide

4-(5-phenyltetrazol-1-yl)benzenesulfonamide (PubChem CID 57395676) has the molecular formula C13H11N5O2S and a molecular weight of 301.33 g/mol. Its IUPAC name is 4-(5-phenyltetrazol-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(5-phenyltetrazol-1-yl)benzenesulfonamide
PubChem CID57395676
Molecular FormulaC13H11N5O2S
Molecular Weight301.33 g/mol
Exact Mass301.06
IUPAC Name4-(5-phenyltetrazol-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C13H11N5O2S/c14-21(19,20)12-8-6-11(7-9-12)18-13(15-16-17-18)10-4-2-1-3-5-10/h1-9H,(H2,14,19,20)
InChIKeyJVHTWWFLERCBKF-UHFFFAOYSA-N
XLogP0.98
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyltetrazol-1-yl)benzenesulfonamide?
The IUPAC name of 4-(5-phenyltetrazol-1-yl)benzenesulfonamide (CID 57395676) is 4-(5-phenyltetrazol-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(5-phenyltetrazol-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(5-phenyltetrazol-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nnnc2-c2ccccc2)cc1.
What is the InChIKey of 4-(5-phenyltetrazol-1-yl)benzenesulfonamide?
The InChIKey is JVHTWWFLERCBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S/c14-21(19,20)12-8-6-11(7-9-12)18-13(15-16-17-18)10-4-2-1-3-5-10/h1-9H,(H2,14,19,20).
What are the key properties of 4-(5-phenyltetrazol-1-yl)benzenesulfonamide?
4-(5-phenyltetrazol-1-yl)benzenesulfonamide has a molecular weight of 301.33 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyltetrazol-1-yl)benzenesulfonamide is sourced from PubChem (CID 57395676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).