N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide

C23H18N4O3S — CID 71049428

IUPACN-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(C4CC=CO4)nc3c2)c1)c1ccccc1
InChIInChI=1S/C23H18N4O3S/c28-31(29,19-5-2-1-3-6-19)27-18-11-17(13-24-14-18)16-8-9-20-21(12-16)26-22(15-25-20)23-7-4-10-30-23/h1-6,8-15,23,27H,7H2
InChIKeyBKNODHLGOSNXMX-UHFFFAOYSA-N
MW430.49 g/mol
LogP4.47
Rot. Bonds5

About N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide

N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 71049428) has the molecular formula C23H18N4O3S and a molecular weight of 430.49 g/mol. Its IUPAC name is N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID71049428
Molecular FormulaC23H18N4O3S
Molecular Weight430.49 g/mol
Exact Mass430.11
IUPAC NameN-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cncc(-c2ccc3ncc(C4CC=CO4)nc3c2)c1)c1ccccc1
InChIInChI=1S/C23H18N4O3S/c28-31(29,19-5-2-1-3-6-19)27-18-11-17(13-24-14-18)16-8-9-20-21(12-16)26-22(15-25-20)23-7-4-10-30-23/h1-6,8-15,23,27H,7H2
InChIKeyBKNODHLGOSNXMX-UHFFFAOYSA-N
XLogP4.47
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-[5-[8-(4-methylsulfonylphenyl)-1,5-naphthyridin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 59406555
N-[5-[6-(piperidin-4-ylamino)pyrazin-2-yl]-3-pyridinyl]benzenesulfonamide
CID 167963136
4-propan-2-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 59860013
ethane;N-quinolin-3-ylbenzenesulfonamide
CID 90950237
4-chloro-N-(5-pyridin-4-yl-3-pyridinyl)benzenesulfonamide
CID 11566395
N-quinoxalin-6-ylbenzenesulfonamide
CID 3860445
N-(5-phenyl-3-pyridinyl)ethanesulfonamide
CID 110713738
4-methyl-N-(3-quinolin-3-ylphenyl)benzenesulfonamide
CID 169371631
6-morpholin-4-yl-N-[5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 59859945

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 71049428) is N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide is O=S(=O)(Nc1cncc(-c2ccc3ncc(C4CC=CO4)nc3c2)c1)c1ccccc1.
What is the InChIKey of N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is BKNODHLGOSNXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3S/c28-31(29,19-5-2-1-3-6-19)27-18-11-17(13-24-14-18)16-8-9-20-21(12-16)26-22(15-25-20)23-7-4-10-30-23/h1-6,8-15,23,27H,7H2.
What are the key properties of N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide?
N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 430.49 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2,3-dihydrofuran-2-yl)quinoxalin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 71049428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).