N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide

C16H29NO4SSi — CID 167358991

IUPACN-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)(C)O)cc1S(=O)(=O)N[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO4SSi/c1-15(2,3)23(7,8)17-22(19,20)14-11-12(16(4,5)18)9-10-13(14)21-6/h9-11,17-18H,1-8H3
InChIKeyBYIMRBVEPRRTOK-UHFFFAOYSA-N
MW359.56 g/mol
LogP3.21
Rot. Bonds5

About N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide

N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide (PubChem CID 167358991) has the molecular formula C16H29NO4SSi and a molecular weight of 359.56 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
PubChem CID167358991
Molecular FormulaC16H29NO4SSi
Molecular Weight359.56 g/mol
Exact Mass359.16
IUPAC NameN-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide
SMILESCOc1ccc(C(C)(C)O)cc1S(=O)(=O)N[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H29NO4SSi/c1-15(2,3)23(7,8)17-22(19,20)14-11-12(16(4,5)18)9-10-13(14)21-6/h9-11,17-18H,1-8H3
InChIKeyBYIMRBVEPRRTOK-UHFFFAOYSA-N
XLogP3.21
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117362849
5-tert-butyl-N-(4-fluorophenyl)-2-methoxybenzenesulfonamide
CID 850108
5-tert-butyl-N-cyclopropyl-2-methoxybenzenesulfonamide
CID 110757527
N-[(2R)-butan-2-yl]-5-tert-butyl-2-methoxybenzenesulfonamide
CID 42065813
5-tert-butyl-2-methoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110757529
2-(4-methoxy-3-methylsulfanylphenyl)propan-2-ol
CID 117303270
2,5-dimethoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7342398
ethane;2-(3-methoxy-4-methylphenyl)propan-2-ol
CID 145081687
5-(2-fluoropropan-2-yl)-2-methoxybenzenesulfonyl chloride
CID 84711706
5-bromo-2-methoxy-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970310
5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxybenzenesulfonamide
CID 110287793
2-(3-methoxy-4-propan-2-ylphenyl)propan-2-ol
CID 58551068

Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide?
The IUPAC name of N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide (CID 167358991) is N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide is COc1ccc(C(C)(C)O)cc1S(=O)(=O)N[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide?
The InChIKey is BYIMRBVEPRRTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4SSi/c1-15(2,3)23(7,8)17-22(19,20)14-11-12(16(4,5)18)9-10-13(14)21-6/h9-11,17-18H,1-8H3.
What are the key properties of N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide?
N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide has a molecular weight of 359.56 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(dimethyl)silyl]-5-(2-hydroxypropan-2-yl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 167358991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).