ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide

C140H228N12O12S4 — CID 160666207

IUPACethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2cccnc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ccncc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2cnccc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ncccc12
InChIInChI=1S/4C21H15N3O3S.28C2H6/c25-21(20-19-15(12-14-23-20)7-6-13-22-19)17-10-4-5-11-18(17)24-28(26,27)16-8-2-1-3-9-16;25-21(20-16-10-6-13-22-18(16)12-14-23-20)17-9-4-5-11-19(17)24-28(26,27)15-7-2-1-3-8-15;25-21(20-17-11-12-22-14-15(17)10-13-23-20)18-8-4-5-9-19(18)24-28(26,27)16-6-2-1-3-7-16;25-21(20-18-14-22-12-10-15(18)11-13-23-20)17-8-4-5-9-19(17)24-28(26,27)16-6-2-1-3-7-16;28*1-2/h4*1-14,24H;28*1-2H3
InChIKeyRMIHKBXHFVCXGF-UHFFFAOYSA-N
MW2399.70 g/mol
LogP43.38
Rot. Bonds20

About ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide

ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide (PubChem CID 160666207) has the molecular formula C140H228N12O12S4 and a molecular weight of 2399.70 g/mol. Its IUPAC name is ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Nameethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide
PubChem CID160666207
Molecular FormulaC140H228N12O12S4
Molecular Weight2399.70 g/mol
Exact Mass2397.65
IUPAC Nameethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2cccnc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ccncc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2cnccc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ncccc12
InChIInChI=1S/4C21H15N3O3S.28C2H6/c25-21(20-19-15(12-14-23-20)7-6-13-22-19)17-10-4-5-11-18(17)24-28(26,27)16-8-2-1-3-9-16;25-21(20-16-10-6-13-22-18(16)12-14-23-20)17-9-4-5-11-19(17)24-28(26,27)15-7-2-1-3-8-15;25-21(20-17-11-12-22-14-15(17)10-13-23-20)18-8-4-5-9-19(18)24-28(26,27)16-6-2-1-3-7-16;25-21(20-18-14-22-12-10-15(18)11-13-23-20)17-8-4-5-9-19(17)24-28(26,27)16-6-2-1-3-7-16;28*1-2/h4*1-14,24H;28*1-2H3
InChIKeyRMIHKBXHFVCXGF-UHFFFAOYSA-N
XLogP43.38
TPSA356.08 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002399.70
LogP ≤ 543.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide with MolForge

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Related Compounds

Quinolinium, 6,6'-(2,5-pyridinediylbis(carbonylimino))bis(1-butyl-, di-p-toluenesulfonate
CID 203289
(2S)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one;(2R)-7-amino-2-methyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,5-naphthyridin-4-one
CID 159989004
Toluene sulfonyl ethylenediamino isosampangine
CID 46854491
N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide
CID 59788597
N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide
CID 59788647
N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide
CID 59788709
N-[4-[[2-[5-[4-phenyl-3-[[4-(pyridine-2-carbonylamino)phenyl]sulfonylamino]phenyl]pyridine-2-carbonyl]phenyl]sulfamoyl]phenyl]pyridine-2-carboxamide
CID 143960272
4-amino-N-[4-[4-(5-methylpyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]-2-quinolin-8-ylbenzenesulfonamide
CID 152003691
1-(2-Fluorophenyl)-2-(3-phenylquinolin-7-yl)ethanone;1-(4-fluorophenyl)-2-(3-phenylquinolin-7-yl)ethanone;1-(3-methylpyrazin-2-yl)-2-(3-phenylquinolin-7-yl)ethanone;1-(2-methyl-3-pyridinyl)-2-(3-phenylquinolin-7-yl)ethanone;1-(3-methyl-2-pyridinyl)-2-(3-phenylquinolin-7-yl)ethanone;2-(3-phenylquinolin-7-yl)-1-pyridin-2-ylethanone
CID 157133274
ethane;N-[2-(pyrazine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyridazine-4-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-2-carbonyl)phenyl]benzenesulfonamide;N-[2-(pyrimidine-5-carbonyl)phenyl]benzenesulfonamide
CID 157166465
4-(1,1-dioxothiazinan-2-yl)-N-(4-methyl-3-quinolin-2-ylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-2-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
CID 157422841
4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-yl-4-methylphenyl)benzenesulfonamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-isoquinolin-1-ylphenyl)benzamide;4-(1,1-dioxothiazinan-2-yl)-N-[3-(1,6-naphthyridin-5-yl)phenyl]benzamide;4-(1,1-dioxothiazinan-2-yl)-N-(3-quinolin-2-ylphenyl)benzamide
CID 157427104

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide (CID 160666207) is ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2cccnc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ccncc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2cnccc12.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2ncccc12.
What is the InChIKey of ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is RMIHKBXHFVCXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C21H15N3O3S.28C2H6/c25-21(20-19-15(12-14-23-20)7-6-13-22-19)17-10-4-5-11-18(17)24-28(26,27)16-8-2-1-3-9-16;25-21(20-16-10-6-13-22-18(16)12-14-23-20)17-9-4-5-11-19(17)24-28(26,27)15-7-2-1-3-8-15;25-21(20-17-11-12-22-14-15(17)10-13-23-20)18-8-4-5-9-19(18)24-28(26,27)16-6-2-1-3-7-16;25-21(20-18-14-22-12-10-15(18)11-13-23-20)17-8-4-5-9-19(17)24-28(26,27)16-6-2-1-3-7-16;28*1-2/h4*1-14,24H;28*1-2H3.
What are the key properties of ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide?
ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 2399.70 g/mol, XLogP of 43.38, 20 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(1,6-naphthyridine-5-carbonyl)phenyl]benzenesulfonamide;N-[2-(1,7-naphthyridine-8-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;N-[2-(2,7-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 160666207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).