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

C17H12ClF3N6O2S — CID 170969395

IUPACN-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1cc2ccc(Cl)c(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c2n1
InChIInChI=1S/C17H12ClF3N6O2S/c1-26-8-10-2-3-13(18)16(15(10)24-26)25-30(28,29)12-7-23-27(9-12)11-4-5-22-14(6-11)17(19,20)21/h2-9,25H,1H3
InChIKeyPBVRFZOYWZNCHL-UHFFFAOYSA-N
MW456.84 g/mol
LogP3.63
Rot. Bonds4

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

N-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170969395) has the molecular formula C17H12ClF3N6O2S and a molecular weight of 456.84 g/mol. Its IUPAC name is N-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170969395
Molecular FormulaC17H12ClF3N6O2S
Molecular Weight456.84 g/mol
Exact Mass456.04
IUPAC NameN-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1cc2ccc(Cl)c(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c2n1
InChIInChI=1S/C17H12ClF3N6O2S/c1-26-8-10-2-3-13(18)16(15(10)24-26)25-30(28,29)12-7-23-27(9-12)11-4-5-22-14(6-11)17(19,20)21/h2-9,25H,1H3
InChIKeyPBVRFZOYWZNCHL-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

6-chloro-N-(5-cyano-1-propylpyrazol-4-yl)-1H-indole-3-sulfonamide
CID 176710721
6-chloro-N-[5-cyano-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]-1H-indole-3-sulfonamide
CID 176710968
1-(2-aminoethyl)-N-(3-chloro-1-methylindol-7-yl)pyrazole-4-sulfonamide
CID 177376338
N-(1-methyl-6-propylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968670
N-(6-cyclopropyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
CID 170968685
1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170968718
N-(6-ethyl-1-methylindazol-7-yl)-3-methyl-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968728
N-(1,6-dimethylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
CID 170968755
N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968963
N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969003
N-(6-ethyl-1-methylindazol-7-yl)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrazole-4-sulfonamide
CID 170969017
N-(6-ethyl-1-methylindazol-7-yl)-2-[2-(trifluoromethyl)-4-pyridinyl]triazole-4-sulfonamide
CID 170969054

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (CID 170969395) is N-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is Cn1cc2ccc(Cl)c(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c2n1.
What is the InChIKey of N-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is PBVRFZOYWZNCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O2S/c1-26-8-10-2-3-13(18)16(15(10)24-26)25-30(28,29)12-7-23-27(9-12)11-4-5-22-14(6-11)17(19,20)21/h2-9,25H,1H3.
What are the key properties of N-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
N-(6-chloro-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-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-2-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170969395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).