1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide

C17H12ClF3N6O2S — CID 170968718

IUPAC1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)c(Cl)cn4)c3)c21
InChIInChI=1S/C17H12ClF3N6O2S/c1-26-16-10(6-23-26)3-2-4-14(16)25-30(28,29)11-7-24-27(9-11)15-5-12(17(19,20)21)13(18)8-22-15/h2-9,25H,1H3
InChIKeyYTEDLWIKCQRKKG-UHFFFAOYSA-N
MW456.84 g/mol
LogP3.63
Rot. Bonds4

About 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide

1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (PubChem CID 170968718) has the molecular formula C17H12ClF3N6O2S and a molecular weight of 456.84 g/mol. Its IUPAC name is 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
PubChem CID170968718
Molecular FormulaC17H12ClF3N6O2S
Molecular Weight456.84 g/mol
Exact Mass456.04
IUPAC Name1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)c(Cl)cn4)c3)c21
InChIInChI=1S/C17H12ClF3N6O2S/c1-26-16-10(6-23-26)3-2-4-14(16)25-30(28,29)11-7-24-27(9-11)15-5-12(17(19,20)21)13(18)8-22-15/h2-9,25H,1H3
InChIKeyYTEDLWIKCQRKKG-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 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide (CID 170968718) is 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is Cn1ncc2cccc(NS(=O)(=O)c3cnn(-c4cc(C(F)(F)F)c(Cl)cn4)c3)c21.
What is the InChIKey of 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
The InChIKey is YTEDLWIKCQRKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3N6O2S/c1-26-16-10(6-23-26)3-2-4-14(16)25-30(28,29)11-7-24-27(9-11)15-5-12(17(19,20)21)13(18)8-22-15/h2-9,25H,1H3.
What are the key properties of 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide?
1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)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 1-[5-chloro-4-(trifluoromethyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170968718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).