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

C14H11F3N6O2S — CID 118266043

IUPAC3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H11F3N6O2S/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/h2-6H,1H3,(H2,18,24,25)(H,20,21,22,23)
InChIKeyPLDGJTPXMQVGLL-UHFFFAOYSA-N
MW384.34 g/mol
LogP1.90
Rot. Bonds3

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

3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118266043) has the molecular formula C14H11F3N6O2S and a molecular weight of 384.34 g/mol. Its IUPAC name is 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118266043
Molecular FormulaC14H11F3N6O2S
Molecular Weight384.34 g/mol
Exact Mass384.06
IUPAC Name3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCc1ccncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H11F3N6O2S/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/h2-6H,1H3,(H2,18,24,25)(H,20,21,22,23)
InChIKeyPLDGJTPXMQVGLL-UHFFFAOYSA-N
XLogP1.90
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-pyridin-3-yl-2-(2H-tetrazol-5-yl)benzenesulfonamide
CID 118266627
3-(Quinolin-5-yl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118256898
3-quinolin-4-yl-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118265930
3-(6-amino-2-methyl-3-pyridyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266328
3-(6-amino-4-methyl-3-pyridyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl) benzenesulfonamide
CID 118266353
3-(4-amino-6-quinolyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266473
3-(4-Amino-7-quinolyl)-2-(1-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266589
3-(6-amino-5-fluoro-3-pyridyl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118266597
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-methylpyridin-3-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823720
3-(1-aminoisoquinolin-6-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 134823724

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118266043) is 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Cc1ccncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is PLDGJTPXMQVGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O2S/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/h2-6H,1H3,(H2,18,24,25)(H,20,21,22,23).
What are the key properties of 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 384.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118266043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).