N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide

C27H45NO4SSi2 — CID 175702586

IUPACN-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1c(CO[Si](C)(C)C(C)(C)C)cccc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H45NO4SSi2/c1-21-15-12-13-18-24(21)33(29,30)28-25-22(19-31-34(8,9)26(2,3)4)16-14-17-23(25)20-32-35(10,11)27(5,6)7/h12-18,28H,19-20H2,1-11H3
InChIKeyWCKSYJQADBUQJK-UHFFFAOYSA-N
MW535.90 g/mol
LogP7.84
Rot. Bonds9

About N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide

N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide (PubChem CID 175702586) has the molecular formula C27H45NO4SSi2 and a molecular weight of 535.90 g/mol. Its IUPAC name is N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide
PubChem CID175702586
Molecular FormulaC27H45NO4SSi2
Molecular Weight535.90 g/mol
Exact Mass535.26
IUPAC NameN-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccccc1S(=O)(=O)Nc1c(CO[Si](C)(C)C(C)(C)C)cccc1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H45NO4SSi2/c1-21-15-12-13-18-24(21)33(29,30)28-25-22(19-31-34(8,9)26(2,3)4)16-14-17-23(25)20-32-35(10,11)27(5,6)7/h12-18,28H,19-20H2,1-11H3
InChIKeyWCKSYJQADBUQJK-UHFFFAOYSA-N
XLogP7.84
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.90
LogP ≤ 57.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanol
CID 102186248
2-methyl-N-(2-propylphenyl)benzenesulfonamide
CID 63000036
2-methyl-N-phenylbenzenesulfonamide
CID 3017048
(2-methylphenyl)methyl 2-methylbenzenesulfonate
CID 175605056
tert-butyl-[[2-(cyclopropylmethyl)phenyl]methoxy]-dimethylsilane
CID 142662334
2-bromo-N-(2-ethyl-6-methylphenyl)benzenesulfonamide
CID 26952400
N-(4-tert-butylphenyl)-2-methylbenzenesulfonamide
CID 58646057
3-methyl-2-[(2-methylphenyl)sulfonylamino]benzoic acid
CID 62998199
N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzenesulfonamide
CID 63000145
N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide
CID 163216298
ethyl 3-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]propanoate
CID 58105215
N-(2,6-diethylphenyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 112808737

Frequently Asked Questions

What is the IUPAC name of N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide (CID 175702586) is N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide is Cc1ccccc1S(=O)(=O)Nc1c(CO[Si](C)(C)C(C)(C)C)cccc1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide?
The InChIKey is WCKSYJQADBUQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45NO4SSi2/c1-21-15-12-13-18-24(21)33(29,30)28-25-22(19-31-34(8,9)26(2,3)4)16-14-17-23(25)20-32-35(10,11)27(5,6)7/h12-18,28H,19-20H2,1-11H3.
What are the key properties of N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide?
N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide has a molecular weight of 535.90 g/mol, XLogP of 7.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 175702586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).