3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide

C15H10F3N7O2S — CID 159274522

IUPAC3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc3c(c2)C(C(F)(F)F)=NC3)c1-c1nn[nH]n1
InChIInChI=1S/C15H10F3N7O2S/c16-15(17,18)12-10-5-7(1-2-8(10)6-21-12)9-3-4-20-14(28(19,26)27)11(9)13-22-24-25-23-13/h1-5H,6H2,(H2,19,26,27)(H,22,23,24,25)
InChIKeyKYDAQPYREVKENG-UHFFFAOYSA-N
MW409.35 g/mol
LogP1.44
Rot. Bonds3

About 3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide

3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide (PubChem CID 159274522) has the molecular formula C15H10F3N7O2S and a molecular weight of 409.35 g/mol. Its IUPAC name is 3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide
PubChem CID159274522
Molecular FormulaC15H10F3N7O2S
Molecular Weight409.35 g/mol
Exact Mass409.06
IUPAC Name3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide
SMILESNS(=O)(=O)c1nccc(-c2ccc3c(c2)C(C(F)(F)F)=NC3)c1-c1nn[nH]n1
InChIInChI=1S/C15H10F3N7O2S/c16-15(17,18)12-10-5-7(1-2-8(10)6-21-12)9-3-4-20-14(28(19,26)27)11(9)13-22-24-25-23-13/h1-5H,6H2,(H2,19,26,27)(H,22,23,24,25)
InChIKeyKYDAQPYREVKENG-UHFFFAOYSA-N
XLogP1.44
TPSA139.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide?
The IUPAC name of 3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide (CID 159274522) is 3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide.
What is the SMILES notation for 3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide?
The canonical SMILES for 3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide is NS(=O)(=O)c1nccc(-c2ccc3c(c2)C(C(F)(F)F)=NC3)c1-c1nn[nH]n1.
What is the InChIKey of 3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide?
The InChIKey is KYDAQPYREVKENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N7O2S/c16-15(17,18)12-10-5-7(1-2-8(10)6-21-12)9-3-4-20-14(28(19,26)27)11(9)13-22-24-25-23-13/h1-5H,6H2,(H2,19,26,27)(H,22,23,24,25).
What are the key properties of 3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide?
3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide has a molecular weight of 409.35 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-tetrazol-5-yl)-4-[3-(trifluoromethyl)-1H-isoindol-5-yl]pyridine-2-sulfonamide is sourced from PubChem (CID 159274522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).