2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide

C8H6F3N5O2S — CID 118257553

IUPAC2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(F)(F)F)c1-c1nn[nH]n1
InChIInChI=1S/C8H6F3N5O2S/c9-8(10,11)4-2-1-3-5(19(12,17)18)6(4)7-13-15-16-14-7/h1-3H,(H2,12,17,18)(H,13,14,15,16)
InChIKeyPPODPZHITFTQFN-UHFFFAOYSA-N
MW293.23 g/mol
LogP0.53
Rot. Bonds2

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

2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 118257553) has the molecular formula C8H6F3N5O2S and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID118257553
Molecular FormulaC8H6F3N5O2S
Molecular Weight293.23 g/mol
Exact Mass293.02
IUPAC Name2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(C(F)(F)F)c1-c1nn[nH]n1
InChIInChI=1S/C8H6F3N5O2S/c9-8(10,11)4-2-1-3-5(19(12,17)18)6(4)7-13-15-16-14-7/h1-3H,(H2,12,17,18)(H,13,14,15,16)
InChIKeyPPODPZHITFTQFN-UHFFFAOYSA-N
XLogP0.53
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide (CID 118257553) is 2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is NS(=O)(=O)c1cccc(C(F)(F)F)c1-c1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PPODPZHITFTQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N5O2S/c9-8(10,11)4-2-1-3-5(19(12,17)18)6(4)7-13-15-16-14-7/h1-3H,(H2,12,17,18)(H,13,14,15,16).
What are the key properties of 2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide?
2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 293.23 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118257553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).