2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide

C16H13F3N6O4S — CID 118266628

IUPAC2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C3(C(F)(F)F)OCCO3)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H13F3N6O4S/c17-16(18,19)15(28-6-7-29-15)12-5-4-9(8-21-12)10-2-1-3-11(30(20,26)27)13(10)14-22-24-25-23-14/h1-5,8H,6-7H2,(H2,20,26,27)(H,22,23,24,25)
InChIKeyGOORYTBQYFAOQA-UHFFFAOYSA-N
MW442.38 g/mol
LogP1.34
Rot. Bonds4

About 2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide

2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 118266628) has the molecular formula C16H13F3N6O4S and a molecular weight of 442.38 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID118266628
Molecular FormulaC16H13F3N6O4S
Molecular Weight442.38 g/mol
Exact Mass442.07
IUPAC Name2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2ccc(C3(C(F)(F)F)OCCO3)nc2)c1-c1nn[nH]n1
InChIInChI=1S/C16H13F3N6O4S/c17-16(18,19)15(28-6-7-29-15)12-5-4-9(8-21-12)10-2-1-3-11(30(20,26)27)13(10)14-22-24-25-23-14/h1-5,8H,6-7H2,(H2,20,26,27)(H,22,23,24,25)
InChIKeyGOORYTBQYFAOQA-UHFFFAOYSA-N
XLogP1.34
TPSA145.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide (CID 118266628) is 2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2ccc(C3(C(F)(F)F)OCCO3)nc2)c1-c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is GOORYTBQYFAOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N6O4S/c17-16(18,19)15(28-6-7-29-15)12-5-4-9(8-21-12)10-2-1-3-11(30(20,26)27)13(10)14-22-24-25-23-14/h1-5,8H,6-7H2,(H2,20,26,27)(H,22,23,24,25).
What are the key properties of 2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide?
2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 442.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-3-[6-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 118266628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).