N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H22F3N5O3S — CID 167268213

IUPACN-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN=S(=O)(CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OC)cc2n1)c1ccccc1
InChIInChI=1S/C24H22F3N5O3S/c1-28-36(34,17-7-4-3-5-8-17)12-11-32-15-16-13-20(21(35-2)14-19(16)31-32)30-23(33)18-9-6-10-22(29-18)24(25,26)27/h3-10,13-15H,11-12H2,1-2H3,(H,30,33)
InChIKeyKETKHYWOULLDJM-UHFFFAOYSA-N
MW517.53 g/mol
LogP4.87
Rot. Bonds7

About N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167268213) has the molecular formula C24H22F3N5O3S and a molecular weight of 517.53 g/mol. Its IUPAC name is N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID167268213
Molecular FormulaC24H22F3N5O3S
Molecular Weight517.53 g/mol
Exact Mass517.14
IUPAC NameN-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN=S(=O)(CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OC)cc2n1)c1ccccc1
InChIInChI=1S/C24H22F3N5O3S/c1-28-36(34,17-7-4-3-5-8-17)12-11-32-15-16-13-20(21(35-2)14-19(16)31-32)30-23(33)18-9-6-10-22(29-18)24(25,26)27/h3-10,13-15H,11-12H2,1-2H3,(H,30,33)
InChIKeyKETKHYWOULLDJM-UHFFFAOYSA-N
XLogP4.87
TPSA98.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.53
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

US9951086, Example 68
CID 118173098
US9951086, Example 220
CID 118172527
US9951086, Example 46
CID 118172648
US9951086, Example 69
CID 118172658
US9951086, Example 221
CID 118172833
US9951086, Example 12
CID 118172938
US9951086, Example 248
CID 118172992
US9951086, Example 65
CID 118173075
US9951086, Example 64
CID 118173110
US9951086, Example 274
CID 118173136
US9951086, Example 255
CID 118173137
US9951086, Example 71
CID 122637001

Frequently Asked Questions

What is the IUPAC name of N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 167268213) is N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CN=S(=O)(CCn1cc2cc(NC(=O)c3cccc(C(F)(F)F)n3)c(OC)cc2n1)c1ccccc1.
What is the InChIKey of N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is KETKHYWOULLDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O3S/c1-28-36(34,17-7-4-3-5-8-17)12-11-32-15-16-13-20(21(35-2)14-19(16)31-32)30-23(33)18-9-6-10-22(29-18)24(25,26)27/h3-10,13-15H,11-12H2,1-2H3,(H,30,33).
What are the key properties of N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 517.53 g/mol, XLogP of 4.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methoxy-2-[2-(N-methyl-S-phenylsulfonimidoyl)ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167268213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).