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

C17H12ClF3N6O2S — CID 170969003

IUPACN-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2ccc(Cl)c(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21
InChIInChI=1S/C17H12ClF3N6O2S/c1-26-16-10(7-23-26)2-3-13(18)15(16)25-30(28,29)12-8-24-27(9-12)14-6-11(4-5-22-14)17(19,20)21/h2-9,25H,1H3
InChIKeyIWWPYONAUWEATM-UHFFFAOYSA-N
MW456.84 g/mol
LogP3.63
Rot. Bonds4

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

N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170969003) has the molecular formula C17H12ClF3N6O2S and a molecular weight of 456.84 g/mol. Its IUPAC name is N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170969003
Molecular FormulaC17H12ClF3N6O2S
Molecular Weight456.84 g/mol
Exact Mass456.04
IUPAC NameN-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2ccc(Cl)c(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21
InChIInChI=1S/C17H12ClF3N6O2S/c1-26-16-10(7-23-26)2-3-13(18)15(16)25-30(28,29)12-8-24-27(9-12)14-6-11(4-5-22-14)17(19,20)21/h2-9,25H,1H3
InChIKeyIWWPYONAUWEATM-UHFFFAOYSA-N
XLogP3.63
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.84
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(trideuteriomethyl)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 171467952
N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide
CID 170969478
N-(6-methoxy-1-methylindazol-7-yl)-3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968701
1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918643
N-(1,6-dimethylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 170965119
1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968677
N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170969157
1-[4-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969092
1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918638
1-[4-(1-hydroxyethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969373
N-(6-methoxy-1-methylindazol-7-yl)-1-(4-morpholin-4-yl-2-pyridinyl)pyrazole-4-sulfonamide
CID 175679485
1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 175679502

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (CID 170969003) is N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is Cn1ncc2ccc(Cl)c(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21.
What is the InChIKey of N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is IWWPYONAUWEATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O2S/c1-26-16-10(7-23-26)2-3-13(18)15(16)25-30(28,29)12-8-24-27(9-12)14-6-11(4-5-22-14)17(19,20)21/h2-9,25H,1H3.
What are the key properties of N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 456.84 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170969003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).