3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C15H10F4N8O2S — CID 118257228

IUPAC3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1nc2c(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc(F)cc2[nH]1
InChIInChI=1S/C15H10F4N8O2S/c16-5-3-7(11-9(4-5)22-14(20)23-11)6-1-2-8(15(17,18)19)12(30(21,28)29)10(6)13-24-26-27-25-13/h1-4H,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27)
InChIKeyGWIQLGMGLUTRQS-UHFFFAOYSA-N
MW442.36 g/mol
LogP1.80
Rot. Bonds3

About 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118257228) has the molecular formula C15H10F4N8O2S and a molecular weight of 442.36 g/mol. Its IUPAC name is 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118257228
Molecular FormulaC15H10F4N8O2S
Molecular Weight442.36 g/mol
Exact Mass442.06
IUPAC Name3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1nc2c(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc(F)cc2[nH]1
InChIInChI=1S/C15H10F4N8O2S/c16-5-3-7(11-9(4-5)22-14(20)23-11)6-1-2-8(15(17,18)19)12(30(21,28)29)10(6)13-24-26-27-25-13/h1-4H,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27)
InChIKeyGWIQLGMGLUTRQS-UHFFFAOYSA-N
XLogP1.80
TPSA169.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.36
LogP ≤ 51.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118257228) is 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Nc1nc2c(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc(F)cc2[nH]1.
What is the InChIKey of 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is GWIQLGMGLUTRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N8O2S/c16-5-3-7(11-9(4-5)22-14(20)23-11)6-1-2-8(15(17,18)19)12(30(21,28)29)10(6)13-24-26-27-25-13/h1-4H,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27).
What are the key properties of 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 442.36 g/mol, XLogP of 1.80, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118257228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).