5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

C14H14F3N7O3S — CID 134823653

IUPAC5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2C2NNNN2)cn1
InChIInChI=1S/C14H14F3N7O3S/c15-14(16,17)8-3-2-7(6-1-4-9(12(18)25)20-5-6)10(11(8)28(19,26)27)13-21-23-24-22-13/h1-5,13,21-24H,(H2,18,25)(H2,19,26,27)
InChIKeyOHZPOROBZOSGJK-UHFFFAOYSA-N
MW417.37 g/mol
LogP-0.37
Rot. Bonds4

About 5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide

5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 134823653) has the molecular formula C14H14F3N7O3S and a molecular weight of 417.37 g/mol. Its IUPAC name is 5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID134823653
Molecular FormulaC14H14F3N7O3S
Molecular Weight417.37 g/mol
Exact Mass417.08
IUPAC Name5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2C2NNNN2)cn1
InChIInChI=1S/C14H14F3N7O3S/c15-14(16,17)8-3-2-7(6-1-4-9(12(18)25)20-5-6)10(11(8)28(19,26)27)13-21-23-24-22-13/h1-5,13,21-24H,(H2,18,25)(H2,19,26,27)
InChIKeyOHZPOROBZOSGJK-UHFFFAOYSA-N
XLogP-0.37
TPSA164.26 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-(5-Amino-6-(aminomethyl)pyridin-3-yl)ethyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 134823640
6-(3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl)isoquinoline-1-carboxamide
CID 118257067
3-(2-sulfamoyl-3-(2H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 134823561
1-methyl-N'-[2-(trifluoromethyl)phenyl]sulfonylpyrrole-2-carbohydrazide
CID 18092849
6-[3-(Trifluoromethyl)pyridin-2-yl]-1,2-benzisothiazol-3-ol 1,1-dioxide
CID 59729363
5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 118266653
5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 122694363
N'-[3-(trifluoromethyl)phenyl]sulfonylpyridine-2-carbohydrazide
CID 8480834
N'-[2-(trifluoromethyl)phenyl]sulfonylpyridine-2-carbohydrazide
CID 8480842
4-[(pyridine-2-carbonylamino)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 8480974
N'-[2-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8842395
N'-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8842405

Frequently Asked Questions

What is the IUPAC name of 5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 134823653) is 5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2C2NNNN2)cn1.
What is the InChIKey of 5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is OHZPOROBZOSGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N7O3S/c15-14(16,17)8-3-2-7(6-1-4-9(12(18)25)20-5-6)10(11(8)28(19,26)27)13-21-23-24-22-13/h1-5,13,21-24H,(H2,18,25)(H2,19,26,27).
What are the key properties of 5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 417.37 g/mol, XLogP of -0.37, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-sulfamoyl-2-(tetrazolidin-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 134823653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).