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

C24H22F2N6O2S — CID 25123257

IUPACN-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
SMILESCN1CCN(c2ccnc3ccc(-c4cncc(S(=O)(=O)Nc5ccc(F)cc5F)c4)nc23)CC1
InChIInChI=1S/C24H22F2N6O2S/c1-31-8-10-32(11-9-31)23-6-7-28-22-5-4-20(29-24(22)23)16-12-18(15-27-14-16)35(33,34)30-21-3-2-17(25)13-19(21)26/h2-7,12-15,30H,8-11H2,1H3
InChIKeyNDKKJASZKBJMEI-UHFFFAOYSA-N
MW496.54 g/mol
LogP3.52
Rot. Bonds5

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

N-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide (PubChem CID 25123257) has the molecular formula C24H22F2N6O2S and a molecular weight of 496.54 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
PubChem CID25123257
Molecular FormulaC24H22F2N6O2S
Molecular Weight496.54 g/mol
Exact Mass496.15
IUPAC NameN-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide
SMILESCN1CCN(c2ccnc3ccc(-c4cncc(S(=O)(=O)Nc5ccc(F)cc5F)c4)nc23)CC1
InChIInChI=1S/C24H22F2N6O2S/c1-31-8-10-32(11-9-31)23-6-7-28-22-5-4-20(29-24(22)23)16-12-18(15-27-14-16)35(33,34)30-21-3-2-17(25)13-19(21)26/h2-7,12-15,30H,8-11H2,1H3
InChIKeyNDKKJASZKBJMEI-UHFFFAOYSA-N
XLogP3.52
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 53.52
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-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide (CID 25123257) is N-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide is CN1CCN(c2ccnc3ccc(-c4cncc(S(=O)(=O)Nc5ccc(F)cc5F)c4)nc23)CC1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide?
The InChIKey is NDKKJASZKBJMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2S/c1-31-8-10-32(11-9-31)23-6-7-28-22-5-4-20(29-24(22)23)16-12-18(15-27-14-16)35(33,34)30-21-3-2-17(25)13-19(21)26/h2-7,12-15,30H,8-11H2,1H3.
What are the key properties of N-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide?
N-(2,4-difluorophenyl)-5-[8-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide has a molecular weight of 496.54 g/mol, XLogP of 3.52, 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-(4-methylpiperazin-1-yl)-1,5-naphthyridin-2-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 25123257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).