sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane

C52H56ClN6NaO9S2 — CID 160791135

IUPACsodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane
SMILESC1CCOC1.Cc1cc(C)c(CNC(=O)c2c(C)[nH]c3ccccc23)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)c(=O)[nH]1.O=S(=O)(Cl)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C24H23N3O4S.C18H19N3O2.C6H5ClO2S.C4H8O.Na.H/c1-15-13-16(2)26-23(28)20(15)14-25-24(29)22-17(3)27(21-12-8-7-11-19(21)22)32(30,31)18-9-5-4-6-10-18;1-10-8-11(2)20-17(22)14(10)9-19-18(23)16-12(3)21-15-7-5-4-6-13(15)16;7-10(8,9)6-4-2-1-3-5-6;1-2-4-5-3-1;;/h4-13H,14H2,1-3H3,(H,25,29)(H,26,28);4-8,21H,9H2,1-3H3,(H,19,23)(H,20,22);1-5H;1-4H2;;/q;;;;+1;-1
InChIKeyJCPLYTIWFQKADS-UHFFFAOYSA-N
MW1031.63 g/mol
LogP5.66
Rot. Bonds9

About sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane

sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane (PubChem CID 160791135) has the molecular formula C52H56ClN6NaO9S2 and a molecular weight of 1031.63 g/mol. Its IUPAC name is sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane.

Molecular Properties

Compound Namesodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane
PubChem CID160791135
Molecular FormulaC52H56ClN6NaO9S2
Molecular Weight1031.63 g/mol
Exact Mass1030.31
IUPAC Namesodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane
SMILESC1CCOC1.Cc1cc(C)c(CNC(=O)c2c(C)[nH]c3ccccc23)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)c(=O)[nH]1.O=S(=O)(Cl)c1ccccc1.[H-].[Na+]
InChIInChI=1S/C24H23N3O4S.C18H19N3O2.C6H5ClO2S.C4H8O.Na.H/c1-15-13-16(2)26-23(28)20(15)14-25-24(29)22-17(3)27(21-12-8-7-11-19(21)22)32(30,31)18-9-5-4-6-10-18;1-10-8-11(2)20-17(22)14(10)9-19-18(23)16-12(3)21-15-7-5-4-6-13(15)16;7-10(8,9)6-4-2-1-3-5-6;1-2-4-5-3-1;;/h4-13H,14H2,1-3H3,(H,25,29)(H,26,28);4-8,21H,9H2,1-3H3,(H,19,23)(H,20,22);1-5H;1-4H2;;/q;;;;+1;-1
InChIKeyJCPLYTIWFQKADS-UHFFFAOYSA-N
XLogP5.66
TPSA222.15 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001031.63
LogP ≤ 55.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Analyze sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane?
The IUPAC name of sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane (CID 160791135) is sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane.
What is the SMILES notation for sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane?
The canonical SMILES for sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane is C1CCOC1.Cc1cc(C)c(CNC(=O)c2c(C)[nH]c3ccccc23)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)n(S(=O)(=O)c3ccccc3)c3ccccc23)c(=O)[nH]1.O=S(=O)(Cl)c1ccccc1.[H-].[Na+].
What is the InChIKey of sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane?
The InChIKey is JCPLYTIWFQKADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4S.C18H19N3O2.C6H5ClO2S.C4H8O.Na.H/c1-15-13-16(2)26-23(28)20(15)14-25-24(29)22-17(3)27(21-12-8-7-11-19(21)22)32(30,31)18-9-5-4-6-10-18;1-10-8-11(2)20-17(22)14(10)9-19-18(23)16-12(3)21-15-7-5-4-6-13(15)16;7-10(8,9)6-4-2-1-3-5-6;1-2-4-5-3-1;;/h4-13H,14H2,1-3H3,(H,25,29)(H,26,28);4-8,21H,9H2,1-3H3,(H,19,23)(H,20,22);1-5H;1-4H2;;/q;;;;+1;-1.
What are the key properties of sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane?
sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane has a molecular weight of 1031.63 g/mol, XLogP of 5.66, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;benzenesulfonyl chloride;1-(benzenesulfonyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylindole-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1H-indole-3-carboxamide;hydride;oxolane is sourced from PubChem (CID 160791135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).