3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C17H19F3N8O2S — CID 134823725

IUPAC3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCCn1c(N)nc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3C3NNNN3)ccc21
InChIInChI=1S/C17H19F3N8O2S/c1-2-28-12-6-3-8(7-11(12)23-16(28)21)9-4-5-10(17(18,19)20)14(31(22,29)30)13(9)15-24-26-27-25-15/h3-7,15,24-27H,2H2,1H3,(H2,21,23)(H2,22,29,30)
InChIKeyCKXPPPSIWMGMSK-UHFFFAOYSA-N
MW456.45 g/mol
LogP1.09
Rot. Bonds4

About 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823725) has the molecular formula C17H19F3N8O2S and a molecular weight of 456.45 g/mol. Its IUPAC name is 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823725
Molecular FormulaC17H19F3N8O2S
Molecular Weight456.45 g/mol
Exact Mass456.13
IUPAC Name3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCCn1c(N)nc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3C3NNNN3)ccc21
InChIInChI=1S/C17H19F3N8O2S/c1-2-28-12-6-3-8(7-11(12)23-16(28)21)9-4-5-10(17(18,19)20)14(31(22,29)30)13(9)15-24-26-27-25-15/h3-7,15,24-27H,2H2,1H3,(H2,21,23)(H2,22,29,30)
InChIKeyCKXPPPSIWMGMSK-UHFFFAOYSA-N
XLogP1.09
TPSA152.12 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.45
LogP ≤ 51.09
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Analyze 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823725) is 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is CCn1c(N)nc2cc(-c3ccc(C(F)(F)F)c(S(N)(=O)=O)c3C3NNNN3)ccc21.
What is the InChIKey of 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is CKXPPPSIWMGMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N8O2S/c1-2-28-12-6-3-8(7-11(12)23-16(28)21)9-4-5-10(17(18,19)20)14(31(22,29)30)13(9)15-24-26-27-25-15/h3-7,15,24-27H,2H2,1H3,(H2,21,23)(H2,22,29,30).
What are the key properties of 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 456.45 g/mol, XLogP of 1.09, 4 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1-ethylbenzimidazol-5-yl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).