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

C13H9F4N7O2S — CID 118266597

IUPAC3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ncc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)cc1F
InChIInChI=1S/C13H9F4N7O2S/c14-8-3-5(4-20-11(8)18)6-1-2-7(13(15,16)17)10(27(19,25)26)9(6)12-21-23-24-22-12/h1-4H,(H2,18,20)(H2,19,25,26)(H,21,22,23,24)
InChIKeyIVPCYUCDFAYFDI-UHFFFAOYSA-N
MW403.32 g/mol
LogP1.32
Rot. Bonds3

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

3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118266597) has the molecular formula C13H9F4N7O2S and a molecular weight of 403.32 g/mol. Its IUPAC name is 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118266597
Molecular FormulaC13H9F4N7O2S
Molecular Weight403.32 g/mol
Exact Mass403.05
IUPAC Name3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ncc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)cc1F
InChIInChI=1S/C13H9F4N7O2S/c14-8-3-5(4-20-11(8)18)6-1-2-7(13(15,16)17)10(27(19,25)26)9(6)12-21-23-24-22-12/h1-4H,(H2,18,20)(H2,19,25,26)(H,21,22,23,24)
InChIKeyIVPCYUCDFAYFDI-UHFFFAOYSA-N
XLogP1.32
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.32
LogP ≤ 51.32
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)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118266597) is 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Nc1ncc(-c2ccc(C(F)(F)F)c(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)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is IVPCYUCDFAYFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N7O2S/c14-8-3-5(4-20-11(8)18)6-1-2-7(13(15,16)17)10(27(19,25)26)9(6)12-21-23-24-22-12/h1-4H,(H2,18,20)(H2,19,25,26)(H,21,22,23,24).
What are the key properties of 3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(6-amino-5-fluoro-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 403.32 g/mol, XLogP of 1.32, 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)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118266597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).