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

C151H253N15O15S5 — CID 161115831

IUPACethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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
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.CC.CC.CC.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2cnccc12.O=C(c1ccnnc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1cnccn1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1cncnc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ncccn1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H15N3O3S.4C17H13N3O3S.31C2H6/c25-21(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;21-16(17-18-11-6-12-19-17)14-9-4-5-10-15(14)20-24(22,23)13-7-2-1-3-8-13;21-17(13-10-18-12-19-11-13)15-8-4-5-9-16(15)20-24(22,23)14-6-2-1-3-7-14;21-17(13-10-11-18-19-12-13)15-8-4-5-9-16(15)20-24(22,23)14-6-2-1-3-7-14;21-17(16-12-18-10-11-19-16)14-8-4-5-9-15(14)20-24(22,23)13-6-2-1-3-7-13;31*1-2/h1-14,24H;4*1-12,20H;31*1-2H3
InChIKeyUKHNMGWMJFLTMU-UHFFFAOYSA-N
MW2679.11 g/mol
LogP45.51
Rot. Bonds25

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

ethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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 (PubChem CID 161115831) has the molecular formula C151H253N15O15S5 and a molecular weight of 2679.11 g/mol. Its IUPAC name is ethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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.

Molecular Properties

Compound Nameethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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
PubChem CID161115831
Molecular FormulaC151H253N15O15S5
Molecular Weight2679.11 g/mol
Exact Mass2676.81
IUPAC Nameethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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
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.CC.CC.CC.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2cnccc12.O=C(c1ccnnc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1cnccn1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1cncnc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ncccn1)c1ccccc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C21H15N3O3S.4C17H13N3O3S.31C2H6/c25-21(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;21-16(17-18-11-6-12-19-17)14-9-4-5-10-15(14)20-24(22,23)13-7-2-1-3-8-13;21-17(13-10-18-12-19-11-13)15-8-4-5-9-16(15)20-24(22,23)14-6-2-1-3-7-14;21-17(13-10-11-18-19-12-13)15-8-4-5-9-16(15)20-24(22,23)14-6-2-1-3-7-14;21-17(16-12-18-10-11-19-16)14-8-4-5-9-15(14)20-24(22,23)13-6-2-1-3-7-13;31*1-2/h1-14,24H;4*1-12,20H;31*1-2H3
InChIKeyUKHNMGWMJFLTMU-UHFFFAOYSA-N
XLogP45.51
TPSA445.10 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms186
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002679.11
LogP ≤ 545.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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?
The IUPAC name of ethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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 161115831) is ethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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.
What is the SMILES notation for ethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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?
The canonical SMILES for ethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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 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.CC.CC.CC.O=C(c1ccccc1NS(=O)(=O)c1ccccc1)c1nccc2cnccc12.O=C(c1ccnnc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1cnccn1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1cncnc1)c1ccccc1NS(=O)(=O)c1ccccc1.O=C(c1ncccn1)c1ccccc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of ethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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?
The InChIKey is UKHNMGWMJFLTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N3O3S.4C17H13N3O3S.31C2H6/c25-21(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;21-16(17-18-11-6-12-19-17)14-9-4-5-10-15(14)20-24(22,23)13-7-2-1-3-8-13;21-17(13-10-18-12-19-11-13)15-8-4-5-9-16(15)20-24(22,23)14-6-2-1-3-7-14;21-17(13-10-11-18-19-12-13)15-8-4-5-9-16(15)20-24(22,23)14-6-2-1-3-7-14;21-17(16-12-18-10-11-19-16)14-8-4-5-9-15(14)20-24(22,23)13-6-2-1-3-7-13;31*1-2/h1-14,24H;4*1-12,20H;31*1-2H3.
What are the key properties of ethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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?
ethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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 has a molecular weight of 2679.11 g/mol, XLogP of 45.51, 25 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(2,6-naphthyridine-1-carbonyl)phenyl]benzenesulfonamide;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 is sourced from PubChem (CID 161115831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).