1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide

C26H34ClNO6S — CID 54548988

IUPAC1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide
SMILESCOc1cc2c(cc1OC)C1(CC2(C)C)CC(C)(C)c2c1cc(OC)c(OC)c2NS(=O)(=O)CCl
InChIInChI=1S/C26H34ClNO6S/c1-24(2)12-26(16-10-19(32-6)18(31-5)9-15(16)24)13-25(3,4)21-17(26)11-20(33-7)23(34-8)22(21)28-35(29,30)14-27/h9-11,28H,12-14H2,1-8H3
InChIKeyZIOPJRLEJWYIAC-UHFFFAOYSA-N
MW524.08 g/mol
LogP5.31
Rot. Bonds7

About 1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide

1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide (PubChem CID 54548988) has the molecular formula C26H34ClNO6S and a molecular weight of 524.08 g/mol. Its IUPAC name is 1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide.

Molecular Properties

Compound Name1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide
PubChem CID54548988
Molecular FormulaC26H34ClNO6S
Molecular Weight524.08 g/mol
Exact Mass523.18
IUPAC Name1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide
SMILESCOc1cc2c(cc1OC)C1(CC2(C)C)CC(C)(C)c2c1cc(OC)c(OC)c2NS(=O)(=O)CCl
InChIInChI=1S/C26H34ClNO6S/c1-24(2)12-26(16-10-19(32-6)18(31-5)9-15(16)24)13-25(3,4)21-17(26)11-20(33-7)23(34-8)22(21)28-35(29,30)14-27/h9-11,28H,12-14H2,1-8H3
InChIKeyZIOPJRLEJWYIAC-UHFFFAOYSA-N
XLogP5.31
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.08
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide?
The IUPAC name of 1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide (CID 54548988) is 1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide.
What is the SMILES notation for 1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide?
The canonical SMILES for 1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide is COc1cc2c(cc1OC)C1(CC2(C)C)CC(C)(C)c2c1cc(OC)c(OC)c2NS(=O)(=O)CCl.
What is the InChIKey of 1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide?
The InChIKey is ZIOPJRLEJWYIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClNO6S/c1-24(2)12-26(16-10-19(32-6)18(31-5)9-15(16)24)13-25(3,4)21-17(26)11-20(33-7)23(34-8)22(21)28-35(29,30)14-27/h9-11,28H,12-14H2,1-8H3.
What are the key properties of 1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide?
1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide has a molecular weight of 524.08 g/mol, XLogP of 5.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(5,5',6,6'-tetramethoxy-1',1',3,3-tetramethyl-1,3'-spirobi[2H-indene]-4-yl)methanesulfonamide is sourced from PubChem (CID 54548988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).