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

C13H14F3N7O2S — CID 134823587

IUPAC3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2C2NNNN2)cn1
InChIInChI=1S/C13H14F3N7O2S/c14-13(15,16)8-3-2-7(6-1-4-9(17)19-5-6)10(11(8)26(18,24)25)12-20-22-23-21-12/h1-5,12,20-23H,(H2,17,19)(H2,18,24,25)
InChIKeyUXGCMHUTUZIRBB-UHFFFAOYSA-N
MW389.36 g/mol
LogP0.11
Rot. Bonds3

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

3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823587) has the molecular formula C13H14F3N7O2S and a molecular weight of 389.36 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823587
Molecular FormulaC13H14F3N7O2S
Molecular Weight389.36 g/mol
Exact Mass389.09
IUPAC Name3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2C2NNNN2)cn1
InChIInChI=1S/C13H14F3N7O2S/c14-13(15,16)8-3-2-7(6-1-4-9(17)19-5-6)10(11(8)26(18,24)25)12-20-22-23-21-12/h1-5,12,20-23H,(H2,17,19)(H2,18,24,25)
InChIKeyUXGCMHUTUZIRBB-UHFFFAOYSA-N
XLogP0.11
TPSA147.19 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.36
LogP ≤ 50.11
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823587) is 3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Nc1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2C2NNNN2)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is UXGCMHUTUZIRBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N7O2S/c14-13(15,16)8-3-2-7(6-1-4-9(17)19-5-6)10(11(8)26(18,24)25)12-20-22-23-21-12/h1-5,12,20-23H,(H2,17,19)(H2,18,24,25).
What are the key properties of 3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 389.36 g/mol, XLogP of 0.11, 3 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).