N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide

C18H16F3N7O2S — CID 170969054

IUPACN-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide
SMILESCCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H16F3N7O2S/c1-3-11-4-5-12-9-23-27(2)17(12)16(11)26-31(29,30)15-10-24-28(25-15)13-6-7-22-14(8-13)18(19,20)21/h4-10,26H,3H2,1-2H3
InChIKeyFBSJPYNLXFASQD-UHFFFAOYSA-N
MW451.43 g/mol
LogP2.93
Rot. Bonds5

About N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide

N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide (PubChem CID 170969054) has the molecular formula C18H16F3N7O2S and a molecular weight of 451.43 g/mol. Its IUPAC name is N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide
PubChem CID170969054
Molecular FormulaC18H16F3N7O2S
Molecular Weight451.43 g/mol
Exact Mass451.10
IUPAC NameN-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide
SMILESCCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H16F3N7O2S/c1-3-11-4-5-12-9-23-27(2)17(12)16(11)26-31(29,30)15-10-24-28(25-15)13-6-7-22-14(8-13)18(19,20)21/h4-10,26H,3H2,1-2H3
InChIKeyFBSJPYNLXFASQD-UHFFFAOYSA-N
XLogP2.93
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide?
The IUPAC name of N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide (CID 170969054) is N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide.
What is the SMILES notation for N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide?
The canonical SMILES for N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide is CCc1ccc2cnn(C)c2c1NS(=O)(=O)c1cnn(-c2ccnc(C(F)(F)F)c2)n1.
What is the InChIKey of N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide?
The InChIKey is FBSJPYNLXFASQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N7O2S/c1-3-11-4-5-12-9-23-27(2)17(12)16(11)26-31(29,30)15-10-24-28(25-15)13-6-7-22-14(8-13)18(19,20)21/h4-10,26H,3H2,1-2H3.
What are the key properties of N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide?
N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide has a molecular weight of 451.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide is sourced from PubChem (CID 170969054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).