3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

C12H10FN7O2S — CID 118266107

IUPAC3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1ncc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1F
InChIInChI=1S/C12H10FN7O2S/c13-8-4-6(5-16-11(8)14)7-2-1-3-9(23(15,21)22)10(7)12-17-19-20-18-12/h1-5H,(H2,14,16)(H2,15,21,22)(H,17,18,19,20)
InChIKeyMYNKEVAWZAXHAW-UHFFFAOYSA-N
MW335.32 g/mol
LogP0.30
Rot. Bonds3

About 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide

3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (PubChem CID 118266107) has the molecular formula C12H10FN7O2S and a molecular weight of 335.32 g/mol. Its IUPAC name is 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
PubChem CID118266107
Molecular FormulaC12H10FN7O2S
Molecular Weight335.32 g/mol
Exact Mass335.06
IUPAC Name3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide
SMILESNc1ncc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1F
InChIInChI=1S/C12H10FN7O2S/c13-8-4-6(5-16-11(8)14)7-2-1-3-9(23(15,21)22)10(7)12-17-19-20-18-12/h1-5H,(H2,14,16)(H2,15,21,22)(H,17,18,19,20)
InChIKeyMYNKEVAWZAXHAW-UHFFFAOYSA-N
XLogP0.30
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide (CID 118266107) is 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is Nc1ncc(-c2cccc(S(N)(=O)=O)c2-c2nn[nH]n2)cc1F.
What is the InChIKey of 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
The InChIKey is MYNKEVAWZAXHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN7O2S/c13-8-4-6(5-16-11(8)14)7-2-1-3-9(23(15,21)22)10(7)12-17-19-20-18-12/h1-5H,(H2,14,16)(H2,15,21,22)(H,17,18,19,20).
What are the key properties of 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide?
3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide has a molecular weight of 335.32 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118266107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).