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

C14H12F3N7O2S — CID 118266353

IUPAC3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(N)ncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H12F3N7O2S/c1-6-4-10(18)20-5-8(6)7-2-3-9(14(15,16)17)12(27(19,25)26)11(7)13-21-23-24-22-13/h2-5H,1H3,(H2,18,20)(H2,19,25,26)(H,21,22,23,24)
InChIKeyVDZJOHWBUZJWHU-UHFFFAOYSA-N
MW399.36 g/mol
LogP1.49
Rot. Bonds3

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

3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (PubChem CID 118266353) has the molecular formula C14H12F3N7O2S and a molecular weight of 399.36 g/mol. Its IUPAC name is 3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
PubChem CID118266353
Molecular FormulaC14H12F3N7O2S
Molecular Weight399.36 g/mol
Exact Mass399.07
IUPAC Name3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
SMILESCc1cc(N)ncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1-c1nn[nH]n1
InChIInChI=1S/C14H12F3N7O2S/c1-6-4-10(18)20-5-8(6)7-2-3-9(14(15,16)17)12(27(19,25)26)11(7)13-21-23-24-22-13/h2-5H,1H3,(H2,18,20)(H2,19,25,26)(H,21,22,23,24)
InChIKeyVDZJOHWBUZJWHU-UHFFFAOYSA-N
XLogP1.49
TPSA153.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.36
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide (CID 118266353) is 3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is Cc1cc(N)ncc1-c1ccc(C(F)(F)F)c(S(N)(=O)=O)c1-c1nn[nH]n1.
What is the InChIKey of 3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VDZJOHWBUZJWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N7O2S/c1-6-4-10(18)20-5-8(6)7-2-3-9(14(15,16)17)12(27(19,25)26)11(7)13-21-23-24-22-13/h2-5H,1H3,(H2,18,20)(H2,19,25,26)(H,21,22,23,24).
What are the key properties of 3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide?
3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide has a molecular weight of 399.36 g/mol, XLogP of 1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-amino-4-methyl-3-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 118266353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).