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

C17H13F3N6O2S — CID 170969141

IUPACN-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c21
InChIInChI=1S/C17H13F3N6O2S/c1-25-16-11(8-22-25)3-2-4-14(16)24-29(27,28)13-9-23-26(10-13)12-5-6-21-15(7-12)17(18,19)20/h2-10,24H,1H3
InChIKeyVUTXHVUIENHHJK-UHFFFAOYSA-N
MW422.39 g/mol
LogP2.97
Rot. Bonds4

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

N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (PubChem CID 170969141) has the molecular formula C17H13F3N6O2S and a molecular weight of 422.39 g/mol. Its IUPAC name is N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
PubChem CID170969141
Molecular FormulaC17H13F3N6O2S
Molecular Weight422.39 g/mol
Exact Mass422.08
IUPAC NameN-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c21
InChIInChI=1S/C17H13F3N6O2S/c1-25-16-11(8-22-25)3-2-4-14(16)24-29(27,28)13-9-23-26(10-13)12-5-6-21-15(7-12)17(18,19)20/h2-10,24H,1H3
InChIKeyVUTXHVUIENHHJK-UHFFFAOYSA-N
XLogP2.97
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide (CID 170969141) is N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is Cn1ncc2cccc(NS(=O)(=O)c3cnn(-c4ccnc(C(F)(F)F)c4)c3)c21.
What is the InChIKey of N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
The InChIKey is VUTXHVUIENHHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2S/c1-25-16-11(8-22-25)3-2-4-14(16)24-29(27,28)13-9-23-26(10-13)12-5-6-21-15(7-12)17(18,19)20/h2-10,24H,1H3.
What are the key properties of N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide?
N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide has a molecular weight of 422.39 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-7-yl)-1-[2-(trifluoromethyl)-4-pyridinyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 170969141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).