dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate

C47H51ClCs2N8O13S4 — CID 160557878

About dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate

dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate (PubChem CID 160557878) has the molecular formula C47H51ClCs2N8O13S4 and a molecular weight of 1365.50 g/mol. Its IUPAC name is dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate.

Molecular Properties

• Compound Name: dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate
• PubChem CID: 160557878
• Molecular Formula: C47H51ClCs2N8O13S4
• Molecular Weight: 1365.50 g/mol
• Exact Mass: 1364.03
• IUPAC Name: dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate
• SMILES: CC(C)(C)NS(=O)(=O)c1cc(N2CCCC2=O)ccc1-c1cnc(-c2ccc([N+](=O)[O-])cc2)s1.CC(C)(C)NS(=O)(=O)c1cc(NC(=O)CCCCl)ccc1-c1cnc(-c2ccc([N+](=O)[O-])cc2)s1.O=CO[O-].[Cs+].[Cs+].[H-]
• InChI: InChI=1S/C23H25ClN4O5S2.C23H24N4O5S2.CH2O3.2Cs.H/c1-23(2,3)27-35(32,33)20-13-16(26-21(29)5-4-12-24)8-11-18(20)19-14-25-22(34-19)15-6-9-17(10-7-15)28(30)31;1-23(2,3)25-34(31,32)20-13-17(26-12-4-5-21(26)28)10-11-18(20)19-14-24-22(33-19)15-6-8-16(9-7-15)27(29)30;2-1-4-3;;;/h6-11,13-14,27H,4-5,12H2,1-3H3,(H,26,29);6-11,13-14,25H,4-5,12H2,1-3H3;1,3H;;;/q;;;2*+1;-1/p-1
• InChIKey: XMGNLBZDOOQGBR-UHFFFAOYSA-M
• XLogP: 2.56
• TPSA: 303.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 16
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1365.50
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate?

The IUPAC name of dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate (CID 160557878) is dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate.

What is the SMILES notation for dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate?

The canonical SMILES for dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate is CC(C)(C)NS(=O)(=O)c1cc(N2CCCC2=O)ccc1-c1cnc(-c2ccc([N+](=O)[O-])cc2)s1.CC(C)(C)NS(=O)(=O)c1cc(NC(=O)CCCCl)ccc1-c1cnc(-c2ccc([N+](=O)[O-])cc2)s1.O=CO[O-].[Cs+].[Cs+].[H-].

What is the InChIKey of dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate?

The InChIKey is XMGNLBZDOOQGBR-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25ClN4O5S2.C23H24N4O5S2.CH2O3.2Cs.H/c1-23(2,3)27-35(32,33)20-13-16(26-21(29)5-4-12-24)8-11-18(20)19-14-25-22(34-19)15-6-9-17(10-7-15)28(30)31;1-23(2,3)25-34(31,32)20-13-17(26-12-4-5-21(26)28)10-11-18(20)19-14-24-22(33-19)15-6-8-16(9-7-15)27(29)30;2-1-4-3;;;/h6-11,13-14,27H,4-5,12H2,1-3H3,(H,26,29);6-11,13-14,25H,4-5,12H2,1-3H3;1,3H;;;/q;;;2*+1;-1/p-1.

What are the key properties of dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate?

dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate has a molecular weight of 1365.50 g/mol, XLogP of 2.56, 16 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for dicesium;N-tert-butyl-2-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]-5-(2-oxopyrrolidin-1-yl)benzenesulfonamide;N-[3-(tert-butylsulfamoyl)-4-[2-(4-nitrophenyl)-1,3-thiazol-5-yl]phenyl]-4-chlorobutanamide;hydride;oxido formate is sourced from PubChem (CID 160557878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).