4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide

C13H10FN5O2S — CID 57392194

IUPAC4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C13H10FN5O2S/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)11-5-7-12(8-6-11)22(15,20)21/h1-8H,(H2,15,20,21)
InChIKeyKSWMDKLRILZQJQ-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.12
Rot. Bonds3

About 4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide

4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide (PubChem CID 57392194) has the molecular formula C13H10FN5O2S and a molecular weight of 319.32 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide
PubChem CID57392194
Molecular FormulaC13H10FN5O2S
Molecular Weight319.32 g/mol
Exact Mass319.05
IUPAC Name4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C13H10FN5O2S/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)11-5-7-12(8-6-11)22(15,20)21/h1-8H,(H2,15,20,21)
InChIKeyKSWMDKLRILZQJQ-UHFFFAOYSA-N
XLogP1.12
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide (CID 57392194) is 4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nnnc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide?
The InChIKey is KSWMDKLRILZQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2S/c14-10-3-1-9(2-4-10)13-16-17-18-19(13)11-5-7-12(8-6-11)22(15,20)21/h1-8H,(H2,15,20,21).
What are the key properties of 4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide?
4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide has a molecular weight of 319.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)tetrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 57392194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).