N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

C18H15F3N6O2S — CID 171463665

IUPACN-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(-n3cc(C(F)(F)F)cn3)nc2)c2c(cnn2C)c1
InChIInChI=1S/C18H15F3N6O2S/c1-11-5-12-7-23-26(2)17(12)15(6-11)25-30(28,29)14-3-4-16(22-9-14)27-10-13(8-24-27)18(19,20)21/h3-10,25H,1-2H3
InChIKeyHNLLRXCHIPRKEK-UHFFFAOYSA-N
MW436.42 g/mol
LogP3.28
Rot. Bonds4

About N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (PubChem CID 171463665) has the molecular formula C18H15F3N6O2S and a molecular weight of 436.42 g/mol. Its IUPAC name is N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
PubChem CID171463665
Molecular FormulaC18H15F3N6O2S
Molecular Weight436.42 g/mol
Exact Mass436.09
IUPAC NameN-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(-n3cc(C(F)(F)F)cn3)nc2)c2c(cnn2C)c1
InChIInChI=1S/C18H15F3N6O2S/c1-11-5-12-7-23-26(2)17(12)15(6-11)25-30(28,29)14-3-4-16(22-9-14)27-10-13(8-24-27)18(19,20)21/h3-10,25H,1-2H3
InChIKeyHNLLRXCHIPRKEK-UHFFFAOYSA-N
XLogP3.28
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (CID 171463665) is N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is Cc1cc(NS(=O)(=O)c2ccc(-n3cc(C(F)(F)F)cn3)nc2)c2c(cnn2C)c1.
What is the InChIKey of N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The InChIKey is HNLLRXCHIPRKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N6O2S/c1-11-5-12-7-23-26(2)17(12)15(6-11)25-30(28,29)14-3-4-16(22-9-14)27-10-13(8-24-27)18(19,20)21/h3-10,25H,1-2H3.
What are the key properties of N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide has a molecular weight of 436.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 171463665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).