N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide

C26H20N4O4S2 — CID 59406555

IUPACN-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2ccnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)nc23)cc1
InChIInChI=1S/C26H20N4O4S2/c1-35(31,32)21-9-7-18(8-10-21)23-13-14-28-25-12-11-24(29-26(23)25)19-15-20(17-27-16-19)30-36(33,34)22-5-3-2-4-6-22/h2-17,30H,1H3
InChIKeyLOTGDKKQPILYIS-UHFFFAOYSA-N
MW516.60 g/mol
LogP4.56
Rot. Bonds6

About N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide

N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 59406555) has the molecular formula C26H20N4O4S2 and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID59406555
Molecular FormulaC26H20N4O4S2
Molecular Weight516.60 g/mol
Exact Mass516.09
IUPAC NameN-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide
SMILESCS(=O)(=O)c1ccc(-c2ccnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)nc23)cc1
InChIInChI=1S/C26H20N4O4S2/c1-35(31,32)21-9-7-18(8-10-21)23-13-14-28-25-12-11-24(29-26(23)25)19-15-20(17-27-16-19)30-36(33,34)22-5-3-2-4-6-22/h2-17,30H,1H3
InChIKeyLOTGDKKQPILYIS-UHFFFAOYSA-N
XLogP4.56
TPSA118.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 59860013
N-[5-(3-pyridin-3-ylquinoxalin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 68508597
N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 52936734
N-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]benzenesulfonamide
CID 52936735
3,4-dimethoxy-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 59860200
N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 71049428
N-(7-pyridin-3-yl-1-benzofuran-5-yl)benzenesulfonamide
CID 66892802
N-quinoxalin-6-ylbenzenesulfonamide
CID 3860445
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
N-[5-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]benzenesulfonamide
CID 52947519
2,3-dimethyl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]imidazole-4-sulfonamide
CID 59859999
N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 167963136

Frequently Asked Questions

What is the IUPAC name of N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide (CID 59406555) is N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide is CS(=O)(=O)c1ccc(-c2ccnc3ccc(-c4cncc(NS(=O)(=O)c5ccccc5)c4)nc23)cc1.
What is the InChIKey of N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is LOTGDKKQPILYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4S2/c1-35(31,32)21-9-7-18(8-10-21)23-13-14-28-25-12-11-24(29-26(23)25)19-15-20(17-27-16-19)30-36(33,34)22-5-3-2-4-6-22/h2-17,30H,1H3.
What are the key properties of N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide?
N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 516.60 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 59406555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).