N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide

C30H47F2NO4SSi2 — CID 21134430

IUPACN-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCC(NS(=O)(=O)c3ccc(F)cc3F)CC2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C30H47F2NO4SSi2/c1-29(2,3)39(7,8)36-24-16-17-25(27(20-24)37-40(9,10)30(4,5)6)21-11-14-23(15-12-21)33-38(34,35)28-18-13-22(31)19-26(28)32/h13,16-21,23,33H,11-12,14-15H2,1-10H3
InChIKeyBSTKQEARICPFOH-UHFFFAOYSA-N
MW611.94 g/mol
LogP8.74
Rot. Bonds8

About N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide

N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide (PubChem CID 21134430) has the molecular formula C30H47F2NO4SSi2 and a molecular weight of 611.94 g/mol. Its IUPAC name is N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide
PubChem CID21134430
Molecular FormulaC30H47F2NO4SSi2
Molecular Weight611.94 g/mol
Exact Mass611.27
IUPAC NameN-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(C2CCC(NS(=O)(=O)c3ccc(F)cc3F)CC2)c(O[Si](C)(C)C(C)(C)C)c1
InChIInChI=1S/C30H47F2NO4SSi2/c1-29(2,3)39(7,8)36-24-16-17-25(27(20-24)37-40(9,10)30(4,5)6)21-11-14-23(15-12-21)33-38(34,35)28-18-13-22(31)19-26(28)32/h13,16-21,23,33H,11-12,14-15H2,1-10H3
InChIKeyBSTKQEARICPFOH-UHFFFAOYSA-N
XLogP8.74
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.94
LogP ≤ 58.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide (CID 21134430) is N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide is CC(C)(C)[Si](C)(C)Oc1ccc(C2CCC(NS(=O)(=O)c3ccc(F)cc3F)CC2)c(O[Si](C)(C)C(C)(C)C)c1.
What is the InChIKey of N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is BSTKQEARICPFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47F2NO4SSi2/c1-29(2,3)39(7,8)36-24-16-17-25(27(20-24)37-40(9,10)30(4,5)6)21-11-14-23(15-12-21)33-38(34,35)28-18-13-22(31)19-26(28)32/h13,16-21,23,33H,11-12,14-15H2,1-10H3.
What are the key properties of N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide?
N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 611.94 g/mol, XLogP of 8.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]cyclohexyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 21134430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).