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

C16H10F6N8O2S — CID 118266302

IUPAC3-[2-amino-6-(trifluoromethyl)-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(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H10F6N8O2S/c17-15(18,19)5-3-7(11-9(4-5)25-14(23)26-11)6-1-2-8(16(20,21)22)12(33(24,31)32)10(6)13-27-29-30-28-13/h1-4H,(H3,23,25,26)(H2,24,31,32)(H,27,28,29,30)
InChIKeyPLWBOUDBBLRWPF-UHFFFAOYSA-N
MW492.37 g/mol
LogP2.68
Rot. Bonds3

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

3-[2-amino-6-(trifluoromethyl)-1H-benzimidazol-4-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118266302) has the molecular formula C16H10F6N8O2S and a molecular weight of 492.37 g/mol. Its IUPAC name is 3-[2-amino-6-(trifluoromethyl)-1H-benzimidazol-4-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[2-amino-6-(trifluoromethyl)-1H-benzimidazol-4-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118266302
Molecular FormulaC16H10F6N8O2S
Molecular Weight492.37 g/mol
Exact Mass492.06
IUPAC Name3-[2-amino-6-(trifluoromethyl)-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(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C16H10F6N8O2S/c17-15(18,19)5-3-7(11-9(4-5)25-14(23)26-11)6-1-2-8(16(20,21)22)12(33(24,31)32)10(6)13-27-29-30-28-13/h1-4H,(H3,23,25,26)(H2,24,31,32)(H,27,28,29,30)
InChIKeyPLWBOUDBBLRWPF-UHFFFAOYSA-N
XLogP2.68
TPSA169.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.37
LogP ≤ 52.68
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-(trifluoromethyl)-1H-benzimidazol-4-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-[2-amino-6-(trifluoromethyl)-1H-benzimidazol-4-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118266302) is 3-[2-amino-6-(trifluoromethyl)-1H-benzimidazol-4-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-[2-amino-6-(trifluoromethyl)-1H-benzimidazol-4-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-[2-amino-6-(trifluoromethyl)-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(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 3-[2-amino-6-(trifluoromethyl)-1H-benzimidazol-4-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PLWBOUDBBLRWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N8O2S/c17-15(18,19)5-3-7(11-9(4-5)25-14(23)26-11)6-1-2-8(16(20,21)22)12(33(24,31)32)10(6)13-27-29-30-28-13/h1-4H,(H3,23,25,26)(H2,24,31,32)(H,27,28,29,30).
What are the key properties of 3-[2-amino-6-(trifluoromethyl)-1H-benzimidazol-4-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-[2-amino-6-(trifluoromethyl)-1H-benzimidazol-4-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 492.37 g/mol, XLogP of 2.68, 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-(trifluoromethyl)-1H-benzimidazol-4-yl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118266302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).