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

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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).