N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide

C23H16F2N6O2S — CID 25123255

IUPACN-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
SMILESCn1cncc1-c1ccnc2ccc(-c3cncc(S(=O)(=O)Nc4ccc(F)cc4F)c3)nc12
InChIInChI=1S/C23H16F2N6O2S/c1-31-13-27-12-22(31)17-6-7-28-21-5-4-19(29-23(17)21)14-8-16(11-26-10-14)34(32,33)30-20-3-2-15(24)9-18(20)25/h2-13,30H,1H3
InChIKeyZQCYVDOGHYAECY-UHFFFAOYSA-N
MW478.48 g/mol
LogP4.17
Rot. Bonds5

About N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide

N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide (PubChem CID 25123255) has the molecular formula C23H16F2N6O2S and a molecular weight of 478.48 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
PubChem CID25123255
Molecular FormulaC23H16F2N6O2S
Molecular Weight478.48 g/mol
Exact Mass478.10
IUPAC NameN-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
SMILESCn1cncc1-c1ccnc2ccc(-c3cncc(S(=O)(=O)Nc4ccc(F)cc4F)c3)nc12
InChIInChI=1S/C23H16F2N6O2S/c1-31-13-27-12-22(31)17-6-7-28-21-5-4-19(29-23(17)21)14-8-16(11-26-10-14)34(32,33)30-20-3-2-15(24)9-18(20)25/h2-13,30H,1H3
InChIKeyZQCYVDOGHYAECY-UHFFFAOYSA-N
XLogP4.17
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide (CID 25123255) is N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide is Cn1cncc1-c1ccnc2ccc(-c3cncc(S(=O)(=O)Nc4ccc(F)cc4F)c3)nc12.
What is the InChIKey of N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide?
The InChIKey is ZQCYVDOGHYAECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F2N6O2S/c1-31-13-27-12-22(31)17-6-7-28-21-5-4-19(29-23(17)21)14-8-16(11-26-10-14)34(32,33)30-20-3-2-15(24)9-18(20)25/h2-13,30H,1H3.
What are the key properties of N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide?
N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide has a molecular weight of 478.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-[8-(3-methylimidazol-4-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 25123255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).