3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

C14H15F3N6O2S — CID 134823720

IUPAC3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1C1NNNN1
InChIInChI=1S/C14H15F3N6O2S/c1-7-4-5-19-6-9(7)8-2-3-10(14(15,16)17)12(26(18,24)25)11(8)13-20-22-23-21-13/h2-6,13,20-23H,1H3,(H2,18,24,25)
InChIKeyVFBNOVNPQWUUDF-UHFFFAOYSA-N
MW388.38 g/mol
LogP0.84
Rot. Bonds3

About 3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide

3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 134823720) has the molecular formula C14H15F3N6O2S and a molecular weight of 388.38 g/mol. Its IUPAC name is 3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID134823720
Molecular FormulaC14H15F3N6O2S
Molecular Weight388.38 g/mol
Exact Mass388.09
IUPAC Name3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1C1NNNN1
InChIInChI=1S/C14H15F3N6O2S/c1-7-4-5-19-6-9(7)8-2-3-10(14(15,16)17)12(26(18,24)25)11(8)13-20-22-23-21-13/h2-6,13,20-23H,1H3,(H2,18,24,25)
InChIKeyVFBNOVNPQWUUDF-UHFFFAOYSA-N
XLogP0.84
TPSA121.17 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 50.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Related Compounds

2,3,4-trimethyl-N-(4-pyridinylmethyl)benzenesulfonamide
CID 1080609
2,4,5-Trimethyl-N-pyridin-3-ylmethyl-benzenesulfonamide
CID 801306
3-(6-amino-4-methyl-3-pyridyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl) benzenesulfonamide
CID 118266353
5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl)quinoline 1-oxide
CID 134823641
3-(Isoquinolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823642
5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl)isoquinoline 2-oxide
CID 134823643
3-(4-{[(6-aminopyridin-3-yl)methyl]amino}cyclohex-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzene sulfonamide
CID 134823678
3-pyrazolo[1,5-a]pyridin-3-yl-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823683
3-(2,6-diaminopyridin-4-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823687
3-(6-piperidin-4-ylpyridin-3-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823717
3-(1-aminoisoquinolin-6-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823724
5-tert-butyl-2,3-dimethyl-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 1502591

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 134823720) is 3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Cc1ccncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1C1NNNN1.
What is the InChIKey of 3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VFBNOVNPQWUUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N6O2S/c1-7-4-5-19-6-9(7)8-2-3-10(14(15,16)17)12(26(18,24)25)11(8)13-20-22-23-21-13/h2-6,13,20-23H,1H3,(H2,18,24,25).
What are the key properties of 3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 388.38 g/mol, XLogP of 0.84, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-pyridinyl)-2-(tetrazolidin-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 134823720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).