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

C13H10FN5O2S — CID 7708707

IUPAC2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccccc1F
InChIInChI=1S/C13H10FN5O2S/c14-12-6-1-2-7-13(12)22(20,21)16-10-4-3-5-11(8-10)19-9-15-17-18-19/h1-9,16H
InChIKeyFXSKFSOAQXKLDT-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.60
Rot. Bonds4

About 2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide

2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (PubChem CID 7708707) has the molecular formula C13H10FN5O2S and a molecular weight of 319.32 g/mol. Its IUPAC name is 2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
PubChem CID7708707
Molecular FormulaC13H10FN5O2S
Molecular Weight319.32 g/mol
Exact Mass319.05
IUPAC Name2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccccc1F
InChIInChI=1S/C13H10FN5O2S/c14-12-6-1-2-7-13(12)22(20,21)16-10-4-3-5-11(8-10)19-9-15-17-18-19/h1-9,16H
InChIKeyFXSKFSOAQXKLDT-UHFFFAOYSA-N
XLogP1.60
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide (CID 7708707) is 2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-n2cnnn2)c1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
The InChIKey is FXSKFSOAQXKLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN5O2S/c14-12-6-1-2-7-13(12)22(20,21)16-10-4-3-5-11(8-10)19-9-15-17-18-19/h1-9,16H.
What are the key properties of 2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide?
2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide has a molecular weight of 319.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(tetrazol-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 7708707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).