N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

C17H13F3N6O2S — CID 170964611

IUPACN-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3ccc(-n4cc(C(F)(F)F)cn4)nc3)c21
InChIInChI=1S/C17H13F3N6O2S/c1-25-16-11(7-22-25)3-2-4-14(16)24-29(27,28)13-5-6-15(21-9-13)26-10-12(8-23-26)17(18,19)20/h2-10,24H,1H3
InChIKeyPMYFNUPXVPZVPO-UHFFFAOYSA-N
MW422.39 g/mol
LogP2.97
Rot. Bonds4

About N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide

N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (PubChem CID 170964611) has the molecular formula C17H13F3N6O2S and a molecular weight of 422.39 g/mol. Its IUPAC name is N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
PubChem CID170964611
Molecular FormulaC17H13F3N6O2S
Molecular Weight422.39 g/mol
Exact Mass422.08
IUPAC NameN-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3ccc(-n4cc(C(F)(F)F)cn4)nc3)c21
InChIInChI=1S/C17H13F3N6O2S/c1-25-16-11(7-22-25)3-2-4-14(16)24-29(27,28)13-5-6-15(21-9-13)26-10-12(8-23-26)17(18,19)20/h2-10,24H,1H3
InChIKeyPMYFNUPXVPZVPO-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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Related Compounds

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CID 57343972
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CID 57393582
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CID 57400517
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CID 59177085
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CID 59177115
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CID 59177166

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide (CID 170964611) is N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is Cn1ncc2cccc(NS(=O)(=O)c3ccc(-n4cc(C(F)(F)F)cn4)nc3)c21.
What is the InChIKey of N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
The InChIKey is PMYFNUPXVPZVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2S/c1-25-16-11(7-22-25)3-2-4-14(16)24-29(27,28)13-5-6-15(21-9-13)26-10-12(8-23-26)17(18,19)20/h2-10,24H,1H3.
What are the key properties of N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide?
N-(1-methylindazol-7-yl)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-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)-6-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 170964611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).