8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide

C20H14F3N5O3S — CID 86687550

IUPAC8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide
SMILESCOc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)cnc12
InChIInChI=1S/C20H14F3N5O3S/c1-31-16-9-13(20(21,22)23)2-3-15(16)19-18-12(4-7-25-19)8-14(10-26-18)32(29,30)28-17-5-6-24-11-27-17/h2-11H,1H3,(H,24,27,28)
InChIKeyQIDBMPLFQMSSGH-UHFFFAOYSA-N
MW461.43 g/mol
LogP3.91
Rot. Bonds5

About 8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide

8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide (PubChem CID 86687550) has the molecular formula C20H14F3N5O3S and a molecular weight of 461.43 g/mol. Its IUPAC name is 8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide.

Molecular Properties

Compound Name8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide
PubChem CID86687550
Molecular FormulaC20H14F3N5O3S
Molecular Weight461.43 g/mol
Exact Mass461.08
IUPAC Name8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide
SMILESCOc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)cnc12
InChIInChI=1S/C20H14F3N5O3S/c1-31-16-9-13(20(21,22)23)2-3-15(16)19-18-12(4-7-25-19)8-14(10-26-18)32(29,30)28-17-5-6-24-11-27-17/h2-11H,1H3,(H,24,27,28)
InChIKeyQIDBMPLFQMSSGH-UHFFFAOYSA-N
XLogP3.91
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide?
The IUPAC name of 8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide (CID 86687550) is 8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide.
What is the SMILES notation for 8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide?
The canonical SMILES for 8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide is COc1cc(C(F)(F)F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)cnc12.
What is the InChIKey of 8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide?
The InChIKey is QIDBMPLFQMSSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O3S/c1-31-16-9-13(20(21,22)23)2-3-15(16)19-18-12(4-7-25-19)8-14(10-26-18)32(29,30)28-17-5-6-24-11-27-17/h2-11H,1H3,(H,24,27,28).
What are the key properties of 8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide?
8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide has a molecular weight of 461.43 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-methoxy-4-(trifluoromethyl)phenyl]-N-pyrimidin-4-yl-1,7-naphthyridine-3-sulfonamide is sourced from PubChem (CID 86687550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).