N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide

C17H12ClF3N6O2S — CID 170968963

IUPACN-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1nc(Cl)c2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21
InChIInChI=1S/C17H12ClF3N6O2S/c1-26-15-12(16(18)24-26)3-2-4-13(15)25-30(28,29)11-8-23-27(9-11)14-7-10(5-6-22-14)17(19,20)21/h2-9,25H,1H3
InChIKeyJATZVDOSHNTCAU-UHFFFAOYSA-N
MW456.84 g/mol
LogP3.63
Rot. Bonds4

About N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide

N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170968963) has the molecular formula C17H12ClF3N6O2S and a molecular weight of 456.84 g/mol. Its IUPAC name is N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170968963
Molecular FormulaC17H12ClF3N6O2S
Molecular Weight456.84 g/mol
Exact Mass456.04
IUPAC NameN-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1nc(Cl)c2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21
InChIInChI=1S/C17H12ClF3N6O2S/c1-26-15-12(16(18)24-26)3-2-4-13(15)25-30(28,29)11-8-23-27(9-11)14-7-10(5-6-22-14)17(19,20)21/h2-9,25H,1H3
InChIKeyJATZVDOSHNTCAU-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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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide (CID 170968963) is N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is Cn1nc(Cl)c2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)ccn4)c3)c21.
What is the InChIKey of N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is JATZVDOSHNTCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O2S/c1-26-15-12(16(18)24-26)3-2-4-13(15)25-30(28,29)11-8-23-27(9-11)14-7-10(5-6-22-14)17(19,20)21/h2-9,25H,1H3.
What are the key properties of N-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide?
N-(3-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-(3-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170968963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).