N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide

C27H45NO4SSi2 — CID 163216298

IUPACN-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(CO[Si](C)(C)C(C)(C)C)cc(CO[Si](C)(C)C(C)(C)C)c2)cc1
InChIInChI=1S/C27H45NO4SSi2/c1-21-12-14-25(15-13-21)33(29,30)28-24-17-22(19-31-34(8,9)26(2,3)4)16-23(18-24)20-32-35(10,11)27(5,6)7/h12-18,28H,19-20H2,1-11H3
InChIKeyBGOLVOGIFWTHCI-UHFFFAOYSA-N
MW535.90 g/mol
LogP7.84
Rot. Bonds9

About N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide

N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide (PubChem CID 163216298) has the molecular formula C27H45NO4SSi2 and a molecular weight of 535.90 g/mol. Its IUPAC name is N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide
PubChem CID163216298
Molecular FormulaC27H45NO4SSi2
Molecular Weight535.90 g/mol
Exact Mass535.26
IUPAC NameN-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(CO[Si](C)(C)C(C)(C)C)cc(CO[Si](C)(C)C(C)(C)C)c2)cc1
InChIInChI=1S/C27H45NO4SSi2/c1-21-12-14-25(15-13-21)33(29,30)28-24-17-22(19-31-34(8,9)26(2,3)4)16-23(18-24)20-32-35(10,11)27(5,6)7/h12-18,28H,19-20H2,1-11H3
InChIKeyBGOLVOGIFWTHCI-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

N-[tert-butyl(dimethyl)silyl]-4-methylbenzenesulfonamide
CID 91736357
tert-butyl-dimethyl-[(4-methylsulfonylphenyl)methoxy]silane;carbon dioxide
CID 162121800
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191
N-[(2S,3R)-1-[tert-butyl(dimethyl)silyl]oxy-3-chloro-4-methylpentan-2-yl]-4-methylbenzenesulfonamide
CID 134927468
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 22203485
tert-butyl-dimethyl-[(3-methylphenyl)methoxy]silane
CID 22967275
N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pent-4-enyl]-4-methylbenzenesulfonamide
CID 10715848
N-(4-methylphenyl)-4-[4-[(4-methylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 4994558
N-(3-benzylphenyl)-4-methylbenzenesulfonamide
CID 3765217
4-methyl-N-[3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzenesulfonamide
CID 169372698
2-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-pyridinyl]ethyl 4-methylbenzenesulfonate
CID 87451557
N-(3-chloro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 54422593

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide (CID 163216298) is N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(CO[Si](C)(C)C(C)(C)C)cc(CO[Si](C)(C)C(C)(C)C)c2)cc1.
What is the InChIKey of N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is BGOLVOGIFWTHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H45NO4SSi2/c1-21-12-14-25(15-13-21)33(29,30)28-24-17-22(19-31-34(8,9)26(2,3)4)16-23(18-24)20-32-35(10,11)27(5,6)7/h12-18,28H,19-20H2,1-11H3.
What are the key properties of N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide?
N-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-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-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 163216298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).