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

C13H10F3N7O2S — CID 118257048

IUPAC3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C13H10F3N7O2S/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/h1-5H,(H2,17,19)(H2,18,24,25)(H,20,21,22,23)
InChIKeyZHRHIMOCSSNYTE-UHFFFAOYSA-N
MW385.33 g/mol
LogP1.18
Rot. Bonds3

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

3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118257048) has the molecular formula C13H10F3N7O2S and a molecular weight of 385.33 g/mol. Its IUPAC name is 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118257048
Molecular FormulaC13H10F3N7O2S
Molecular Weight385.33 g/mol
Exact Mass385.06
IUPAC Name3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESNc1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C13H10F3N7O2S/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/h1-5H,(H2,17,19)(H2,18,24,25)(H,20,21,22,23)
InChIKeyZHRHIMOCSSNYTE-UHFFFAOYSA-N
XLogP1.18
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.33
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118257048) is 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Nc1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1.
What is the InChIKey of 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZHRHIMOCSSNYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N7O2S/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/h1-5H,(H2,17,19)(H2,18,24,25)(H,20,21,22,23).
What are the key properties of 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 385.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118257048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).