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

C14H10F3N7O3S — CID 118266653

IUPAC5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C14H10F3N7O3S/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/h1-5H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24)
InChIKeyRPJKUXXPODJECR-UHFFFAOYSA-N
MW413.34 g/mol
LogP0.69
Rot. Bonds4

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

5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (PubChem CID 118266653) has the molecular formula C14H10F3N7O3S and a molecular weight of 413.34 g/mol. Its IUPAC name is 5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
PubChem CID118266653
Molecular FormulaC14H10F3N7O3S
Molecular Weight413.34 g/mol
Exact Mass413.05
IUPAC Name5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1
InChIInChI=1S/C14H10F3N7O3S/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/h1-5H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24)
InChIKeyRPJKUXXPODJECR-UHFFFAOYSA-N
XLogP0.69
TPSA170.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.34
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

US10647719, Example 4.00
CID 126720532
3-(5-aminopyridin-2-yl)-2-(1H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfon-amide
CID 118266258
5-(3-Sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl)picolinamide
CID 134823653
6-(3-sulfamoyl-2-(2H-tetrazol-5-yl)phenyl)isoquinoline-1-carboxamide
CID 118257067
4-(2-Sulfamoyl-3-(1H-tetrazol-5-yl)pyridin-4-yl)benzamide
CID 118256777
US10227331, Example 139
CID 135150147
3-[2-[5-amino-6-(aminomethyl)pyridin-3-yl]ethyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 118265988
5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 122694363
3-(4-amino-2-pyridinyl)-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 130237841
3-[5-amino-6-(aminomethyl)-3-pyridinyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 130238543
2-[4-[6-(methylcarbamoyl)pyridin-3-yl]-2-sulfamoyl-3-(2H-tetrazol-5-yl)phenyl]sulfonylethylazanium;2,2,2-trifluoroacetate
CID 135150146
3-[2,3-bis(ethenyl)-4-pyridinyl]-2-(2H-tetrazol-5-yl)-6-(trifluoromethyl)benzenesulfonamide
CID 144893405

Frequently Asked Questions

What is the IUPAC name of 5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide (CID 118266653) is 5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2ccc(C(F)(F)F)c(S(N)(=O)=O)c2-c2nn[nH]n2)cn1.
What is the InChIKey of 5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
The InChIKey is RPJKUXXPODJECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N7O3S/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/h1-5H,(H2,18,25)(H2,19,26,27)(H,21,22,23,24).
What are the key properties of 5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide?
5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide has a molecular weight of 413.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-sulfamoyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118266653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).