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

C17H16F4N8O2S — CID 144893722

IUPAC3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;ethane
SMILESCC.Nc1nc2c(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc(F)cc2[nH]1
InChIInChI=1S/C15H10F4N8O2S.C2H6/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;1-2/h1-4H,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27);1-2H3
InChIKeyXXPRABBPYKODAH-UHFFFAOYSA-N
MW472.43 g/mol
LogP2.82
Rot. Bonds3

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

3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;ethane (PubChem CID 144893722) has the molecular formula C17H16F4N8O2S and a molecular weight of 472.43 g/mol. Its IUPAC name is 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;ethane.

Molecular Properties

Compound Name3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;ethane
PubChem CID144893722
Molecular FormulaC17H16F4N8O2S
Molecular Weight472.43 g/mol
Exact Mass472.11
IUPAC Name3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;ethane
SMILESCC.Nc1nc2c(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3-c3nn[nH]n3)cc(F)cc2[nH]1
InChIInChI=1S/C15H10F4N8O2S.C2H6/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;1-2/h1-4H,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27);1-2H3
InChIKeyXXPRABBPYKODAH-UHFFFAOYSA-N
XLogP2.82
TPSA169.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.43
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-amino-3H-benzimidazol-4-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266485
US10221163, Example 1
CID 124159584
2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 24758469
2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 53341468
3-(2-amino-1H-imidazo[4,5-b]pyridin-7-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256964
3-(2-amino-4-methyl-1H-benzo[d]imidazol-7-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118257024
3-(2-amino-5-cyano-1H-benzo[d]imidazol-7-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118257172
3-(2-amino-5-fluoro-1H-benzo[d]imidazol-7-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118257228
3-(2-amino-5-(trifluoromethyl)-1H-benzo[d]imidazol-7-yl)-N,N-bis(4-methoxybenzyl)-2-(2-(4-methoxybenzyl)-2H-tetrazol-5-yl)-6-(trifluoromethyl) benzenesulfonamide
CID 118266302
3-(2-amino-3H-benzimidazol-5-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266451
US10227331, Example 260
CID 124159633
3-[4-(2-amino-3-methyl-imidazol-4-yl)phenyl]-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823671

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;ethane?
The IUPAC name of 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;ethane (CID 144893722) is 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;ethane.
What is the SMILES notation for 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;ethane?
The canonical SMILES for 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;ethane is CC.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;ethane?
The InChIKey is XXPRABBPYKODAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N8O2S.C2H6/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;1-2/h1-4H,(H3,20,22,23)(H2,21,28,29)(H,24,25,26,27);1-2H3.
What are the key properties of 3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;ethane?
3-(2-amino-6-fluoro-1H-benzimidazol-4-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide;ethane has a molecular weight of 472.43 g/mol, XLogP of 2.82, 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;ethane is sourced from PubChem (CID 144893722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).